N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide

C7H10N2OS — CID 115167176

IUPACN-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1ccc[nH]1
InChIInChI=1S/C7H10N2OS/c10-7(5-11)9-4-6-2-1-3-8-6/h1-3,8,11H,4-5H2,(H,9,10)
InChIKeyFZLKTBWVSCCCOS-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.56
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide

N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide (PubChem CID 115167176) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
PubChem CID115167176
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1ccc[nH]1
InChIInChI=1S/C7H10N2OS/c10-7(5-11)9-4-6-2-1-3-8-6/h1-3,8,11H,4-5H2,(H,9,10)
InChIKeyFZLKTBWVSCCCOS-UHFFFAOYSA-N
XLogP0.56
TPSA44.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 16110306
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
(1H-pyrrol-2-yl)methanamine
CID 10996966
(5Z,8Z,11Z,14Z)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10157610
1H-Pyrrole-2-carbothioamide
CID 13589313
ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
CID 738701
Acetamide, N-[4-[(E)-(1H-pyrrol-2-ylmethylene)amino]phenyl]-
CID 781186
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
1-(1H-pyrrol-2-yl)ethan-1-amine
CID 16641592
N-Ethyl-1H-pyrrole-2-carboxamide
CID 22499134
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]acetamide
CID 127041867

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide (CID 115167176) is N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide is O=C(CS)NCc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide?
The InChIKey is FZLKTBWVSCCCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-7(5-11)9-4-6-2-1-3-8-6/h1-3,8,11H,4-5H2,(H,9,10).
What are the key properties of N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide?
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide has a molecular weight of 170.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide is sourced from PubChem (CID 115167176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).