N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide

C17H32N2O3S — CID 113068124

IUPACN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O3S/c1-23(21,22)19(16-11-7-2-3-8-12-16)14-13-18-17(20)15-9-5-4-6-10-15/h15-16H,2-14H2,1H3,(H,18,20)
InChIKeyLVRSBBVRBCZAJG-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide (PubChem CID 113068124) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
PubChem CID113068124
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O3S/c1-23(21,22)19(16-11-7-2-3-8-12-16)14-13-18-17(20)15-9-5-4-6-10-15/h15-16H,2-14H2,1H3,(H,18,20)
InChIKeyLVRSBBVRBCZAJG-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067911
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide (CID 113068124) is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCCC1)C1CCCCCC1.
What is the InChIKey of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide?
The InChIKey is LVRSBBVRBCZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-23(21,22)19(16-11-7-2-3-8-12-16)14-13-18-17(20)15-9-5-4-6-10-15/h15-16H,2-14H2,1H3,(H,18,20).
What are the key properties of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide?
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide has a molecular weight of 344.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113068124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).