1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone

C12H22N2OS — CID 79941639

IUPAC1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CSC(C)C2)CC1
InChIInChI=1S/C12H22N2OS/c1-9-7-12(8-16-9)13-11-3-5-14(6-4-11)10(2)15/h9,11-13H,3-8H2,1-2H3
InChIKeyUUIFYRRZXQIUBL-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.48
Rot. Bonds2

About 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone

1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone (PubChem CID 79941639) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone
PubChem CID79941639
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CSC(C)C2)CC1
InChIInChI=1S/C12H22N2OS/c1-9-7-12(8-16-9)13-11-3-5-14(6-4-11)10(2)15/h9,11-13H,3-8H2,1-2H3
InChIKeyUUIFYRRZXQIUBL-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone 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

Ngx-267
CID 10013505
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 118732904
2-Methyl-1-[3-(thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 118740659
2,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22139651
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
4-Methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 45096794
1-Thia-4,8-diazaspiro[4.5]decan-3-one
CID 10419642
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 45796543
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
CID 71864577

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone (CID 79941639) is 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CSC(C)C2)CC1.
What is the InChIKey of 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is UUIFYRRZXQIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-7-12(8-16-9)13-11-3-5-14(6-4-11)10(2)15/h9,11-13H,3-8H2,1-2H3.
What are the key properties of 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 242.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methylthiolan-3-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 79941639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).