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

C15H30N2O3S — CID 113068122

IUPACN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-3-4-11-15(18)16-12-13-17(21(2,19)20)14-9-7-5-6-8-10-14/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyRYJAEPAFBGOSHC-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.28
Rot. Bonds8

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

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide (PubChem CID 113068122) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
PubChem CID113068122
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-3-4-11-15(18)16-12-13-17(21(2,19)20)14-9-7-5-6-8-10-14/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyRYJAEPAFBGOSHC-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-[acetyl(cyclopentyl)amino]ethyl]pentanamide
CID 113052774
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide?
The IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide (CID 113068122) is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide?
The canonical SMILES for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide is CCCCC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide?
The InChIKey is RYJAEPAFBGOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-4-11-15(18)16-12-13-17(21(2,19)20)14-9-7-5-6-8-10-14/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide?
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide has a molecular weight of 318.48 g/mol, XLogP of 2.28, 8 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]pentanamide is sourced from PubChem (CID 113068122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).