N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide

C14H28N2O3S — CID 113137366

IUPACN-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCCCCNC(=O)CCN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-3-4-11-15-14(17)10-12-16(20(2,18)19)13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyPLAOXMAQTDBXEU-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.89
Rot. Bonds8

About N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide

N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide (PubChem CID 113137366) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
PubChem CID113137366
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCCCCNC(=O)CCN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-3-4-11-15-14(17)10-12-16(20(2,18)19)13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyPLAOXMAQTDBXEU-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.89
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

3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
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-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136242
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
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide (CID 113137366) is N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide is CCCCNC(=O)CCN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The InChIKey is PLAOXMAQTDBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-4-11-15-14(17)10-12-16(20(2,18)19)13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide has a molecular weight of 304.46 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).