N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide

C13H17NOS — CID 115167829

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NOS/c15-13(6-7-16)14-9-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,16H,1-3,6-7,9H2,(H,14,15)
InChIKeyNGSRNLSBVSSYIX-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.11
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide (PubChem CID 115167829) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
PubChem CID115167829
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NOS/c15-13(6-7-16)14-9-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,16H,1-3,6-7,9H2,(H,14,15)
InChIKeyNGSRNLSBVSSYIX-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide (CID 115167829) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide is O=C(CCS)NCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide?
The InChIKey is NGSRNLSBVSSYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(6-7-16)14-9-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,16H,1-3,6-7,9H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 115167829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).