3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide

C16H32N2O3S — CID 113141017

IUPAC3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H32N2O3S/c1-3-4-9-13-17-16(19)12-14-18(22(2,20)21)15-10-7-5-6-8-11-15/h15H,3-14H2,1-2H3,(H,17,19)
InChIKeyJGVMAFUDIDOFEM-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.67
Rot. Bonds9

About 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide

3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide (PubChem CID 113141017) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
PubChem CID113141017
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H32N2O3S/c1-3-4-9-13-17-16(19)12-14-18(22(2,20)21)15-10-7-5-6-8-11-15/h15H,3-14H2,1-2H3,(H,17,19)
InChIKeyJGVMAFUDIDOFEM-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374
3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide
CID 164764560
N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
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
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
3-cyclohexyl-N-undecylpropanamide
CID 5146202

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide?
The IUPAC name of 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide (CID 113141017) is 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide?
The canonical SMILES for 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide is CCCCCNC(=O)CCN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide?
The InChIKey is JGVMAFUDIDOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-3-4-9-13-17-16(19)12-14-18(22(2,20)21)15-10-7-5-6-8-11-15/h15H,3-14H2,1-2H3,(H,17,19).
What are the key properties of 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide?
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide has a molecular weight of 332.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 113141017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).