N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide

C10H14N2OS — CID 107022769

IUPACN-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
SMILESCC(NC(=O)CCS)c1cccnc1
InChIInChI=1S/C10H14N2OS/c1-8(12-10(13)4-6-14)9-3-2-5-11-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H,12,13)
InChIKeyNBNROQVUEACOTA-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.58
Rot. Bonds4

About N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide

N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide (PubChem CID 107022769) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
PubChem CID107022769
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
SMILESCC(NC(=O)CCS)c1cccnc1
InChIInChI=1S/C10H14N2OS/c1-8(12-10(13)4-6-14)9-3-2-5-11-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H,12,13)
InChIKeyNBNROQVUEACOTA-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 51085822
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide (CID 107022769) is N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide is CC(NC(=O)CCS)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide?
The InChIKey is NBNROQVUEACOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(12-10(13)4-6-14)9-3-2-5-11-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H,12,13).
What are the key properties of N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide?
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide has a molecular weight of 210.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107022769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).