(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide

C11H18N2O2S — CID 172908529

IUPAC(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CC2CSC2)C1
InChIInChI=1S/C11H18N2O2S/c12-11(15)9-2-1-3-13(5-9)10(14)4-8-6-16-7-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyBKTQIMHCVRWPFO-VIFPVBQESA-N
MW242.34 g/mol
LogP0.46
Rot. Bonds3

About (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 172908529) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID172908529
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CC2CSC2)C1
InChIInChI=1S/C11H18N2O2S/c12-11(15)9-2-1-3-13(5-9)10(14)4-8-6-16-7-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyBKTQIMHCVRWPFO-VIFPVBQESA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide 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

(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
CID 110098430
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide (CID 172908529) is (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CC2CSC2)C1.
What is the InChIKey of (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is BKTQIMHCVRWPFO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-11(15)9-2-1-3-13(5-9)10(14)4-8-6-16-7-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).