3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide

C12H15ClN2OS — CID 15053378

IUPAC3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(Sc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2OS/c1-14(2)12(16)15-7-11(8-15)17-10-5-3-9(13)4-6-10/h3-6,11H,7-8H2,1-2H3
InChIKeyHCJBKTDAZLEBNY-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide

3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide (PubChem CID 15053378) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide
PubChem CID15053378
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(Sc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2OS/c1-14(2)12(16)15-7-11(8-15)17-10-5-3-9(13)4-6-10/h3-6,11H,7-8H2,1-2H3
InChIKeyHCJBKTDAZLEBNY-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-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

1-[3-(4-chlorophenyl)sulfanylazetidin-1-yl]prop-2-en-1-one
CID 149163645
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate
CID 13320217
2-[[[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048634
2-[[[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048640
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55646263
(2R)-2-(4-chlorophenyl)sulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27210102
1-benzyl-4-(4-chlorophenyl)sulfanylpiperidine;(Z)-but-2-enedioic acid
CID 70446673
(4-chlorophenyl)-[(3S)-3-methylsulfanylpyrrolidin-1-yl]methanone
CID 99882867
N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 141370243
2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618079
2-(4-chlorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916582

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide (CID 15053378) is 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide is CN(C)C(=O)N1CC(Sc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide?
The InChIKey is HCJBKTDAZLEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-14(2)12(16)15-7-11(8-15)17-10-5-3-9(13)4-6-10/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide?
3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide has a molecular weight of 270.79 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 15053378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).