1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea

C15H31N3O3S — CID 113068249

IUPAC1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
SMILESCC(C)CCN(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H31N3O3S/c1-13(2)9-11-18(22(3,20)21)12-10-16-15(19)17-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,16,17,19)
InChIKeyNNOLFGXPSRIQJT-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.93
Rot. Bonds8

About 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea

1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea (PubChem CID 113068249) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
PubChem CID113068249
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
SMILESCC(C)CCN(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H31N3O3S/c1-13(2)9-11-18(22(3,20)21)12-10-16-15(19)17-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,16,17,19)
InChIKeyNNOLFGXPSRIQJT-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
CID 113067880
1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
CID 113068414
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
1-cyclopentyl-3-propylurea
CID 14343339

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea (CID 113068249) is 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea is CC(C)CCN(CCNC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea?
The InChIKey is NNOLFGXPSRIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-13(2)9-11-18(22(3,20)21)12-10-16-15(19)17-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea?
1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea has a molecular weight of 333.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea is sourced from PubChem (CID 113068249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).