N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide

C17H17NOS2 — CID 97237561

IUPACN-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21
InChIInChI=1S/C17H17NOS2/c19-14(10-21-15-6-3-9-20-15)18-17-13-8-7-11-4-1-2-5-12(11)16(13)17/h1-6,9,13,16-17H,7-8,10H2,(H,18,19)/t13-,16+,17-/m1/s1
InChIKeyFLVQJTJZHSBULD-XOKHGSTOSA-N
MW315.46 g/mol
LogP3.68
Rot. Bonds4

About N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide

N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide (PubChem CID 97237561) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
PubChem CID97237561
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC NameN-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21
InChIInChI=1S/C17H17NOS2/c19-14(10-21-15-6-3-9-20-15)18-17-13-8-7-11-4-1-2-5-12(11)16(13)17/h1-6,9,13,16-17H,7-8,10H2,(H,18,19)/t13-,16+,17-/m1/s1
InChIKeyFLVQJTJZHSBULD-XOKHGSTOSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
CID 75386042
N-[2-[[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97237562
1-[2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552283
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-[4-(aminomethyl)triazol-1-yl]acetamide
CID 166301905
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
CID 100633383
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99854195
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
3-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]oxolane-3-carboxylic acid
CID 66249495
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide (CID 97237561) is N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21.
What is the InChIKey of N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is FLVQJTJZHSBULD-XOKHGSTOSA-N. The full InChI is InChI=1S/C17H17NOS2/c19-14(10-21-15-6-3-9-20-15)18-17-13-8-7-11-4-1-2-5-12(11)16(13)17/h1-6,9,13,16-17H,7-8,10H2,(H,18,19)/t13-,16+,17-/m1/s1.
What are the key properties of N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide?
N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 315.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 97237561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).