N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

C14H26ClN3O3S — CID 120947386

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSCC(=O)N1CCCCC1)NCC1CNCC1O
InChIInChI=1S/C14H25N3O3S.ClH/c18-12-8-15-6-11(12)7-16-13(19)9-21-10-14(20)17-4-2-1-3-5-17;/h11-12,15,18H,1-10H2,(H,16,19);1H
InChIKeyHRAYMXGTIXWFOJ-UHFFFAOYSA-N
MW351.90 g/mol
LogP-0.15
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (PubChem CID 120947386) has the molecular formula C14H26ClN3O3S and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
PubChem CID120947386
Molecular FormulaC14H26ClN3O3S
Molecular Weight351.90 g/mol
Exact Mass351.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSCC(=O)N1CCCCC1)NCC1CNCC1O
InChIInChI=1S/C14H25N3O3S.ClH/c18-12-8-15-6-11(12)7-16-13(19)9-21-10-14(20)17-4-2-1-3-5-17;/h11-12,15,18H,1-10H2,(H,16,19);1H
InChIKeyHRAYMXGTIXWFOJ-UHFFFAOYSA-N
XLogP-0.15
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride 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

4-(azepan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-oxobutanamide
CID 56882826
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
2-[2-(diethylamino)ethylsulfanyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945911
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide;dihydrochloride
CID 120945928
2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
CID 154907305
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120946086
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394423
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120947260
1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120946337

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (CID 120947386) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is Cl.O=C(CSCC(=O)N1CCCCC1)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The InChIKey is HRAYMXGTIXWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S.ClH/c18-12-8-15-6-11(12)7-16-13(19)9-21-10-14(20)17-4-2-1-3-5-17;/h11-12,15,18H,1-10H2,(H,16,19);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120947386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).