1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one

C12H22N2OS — CID 115717983

IUPAC1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNC1CCSC1
InChIInChI=1S/C12H22N2OS/c15-12-4-1-2-7-14(12)8-3-6-13-11-5-9-16-10-11/h11,13H,1-10H2
InChIKeyJSSJWPRKUYVGHD-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.48
Rot. Bonds5

About 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one

1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one (PubChem CID 115717983) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
PubChem CID115717983
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNC1CCSC1
InChIInChI=1S/C12H22N2OS/c15-12-4-1-2-7-14(12)8-3-6-13-11-5-9-16-10-11/h11,13H,1-10H2
InChIKeyJSSJWPRKUYVGHD-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
CID 758325
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110
1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one
CID 118911543
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270388
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one?
The IUPAC name of 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one (CID 115717983) is 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one?
The canonical SMILES for 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one is O=C1CCCCN1CCCNC1CCSC1.
What is the InChIKey of 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one?
The InChIKey is JSSJWPRKUYVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c15-12-4-1-2-7-14(12)8-3-6-13-11-5-9-16-10-11/h11,13H,1-10H2.
What are the key properties of 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one?
1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one has a molecular weight of 242.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one is sourced from PubChem (CID 115717983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).