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

C17H17NOS2 — CID 75386042

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NC1C2CCc3ccccc3C21
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)
InChIKeyFLVQJTJZHSBULD-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.68
Rot. Bonds4

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

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 75386042) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID75386042
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NC1C2CCc3ccccc3C21
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)
InChIKeyFLVQJTJZHSBULD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide (CID 75386042) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)NC1C2CCc3ccccc3C21.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is FLVQJTJZHSBULD-UHFFFAOYSA-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).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide?
N-(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-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 75386042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).