(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone

C15H21NO3S2 — CID 71809293

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C15H21NO3S2/c1-11-7-14(20-10-11)15(17)16-8-13(9-16)21(18,19)12-5-3-2-4-6-12/h7,10,12-13H,2-6,8-9H2,1H3
InChIKeyGXDUXNKNFAJMCP-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.63
Rot. Bonds3

About (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone

(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone (PubChem CID 71809293) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
PubChem CID71809293
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C15H21NO3S2/c1-11-7-14(20-10-11)15(17)16-8-13(9-16)21(18,19)12-5-3-2-4-6-12/h7,10,12-13H,2-6,8-9H2,1H3
InChIKeyGXDUXNKNFAJMCP-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N2,N2-dimethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820417
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
CID 4964210
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
Thiophene-2-carboxamide, N-benzyl-N-tert-butyl-
CID 574008
N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide
CID 664074
1-(Methylsulfonyl)-4-[(5-methyl-3-thienyl)carbonyl]piperazine
CID 1245404
Azepan-1-yl-(5-methylthiophen-3-yl)methanone
CID 1247215
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 2991517
N-(2-cyclohex-1-en-1-ylethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3240940

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone (CID 71809293) is (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone?
The InChIKey is GXDUXNKNFAJMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-11-7-14(20-10-11)15(17)16-8-13(9-16)21(18,19)12-5-3-2-4-6-12/h7,10,12-13H,2-6,8-9H2,1H3.
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone?
(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone has a molecular weight of 327.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71809293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).