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

C15H29N3O3S — CID 113065748

IUPAC1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C15H29N3O3S/c1-22(20,21)18(14-9-5-6-10-14)12-11-16-15(19)17-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H2,16,17,19)
InChIKeyNCVLZYFDZKPFDV-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.82
Rot. Bonds6

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

1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea (PubChem CID 113065748) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
PubChem CID113065748
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C15H29N3O3S/c1-22(20,21)18(14-9-5-6-10-14)12-11-16-15(19)17-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H2,16,17,19)
InChIKeyNCVLZYFDZKPFDV-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
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]-3-methylbutanamide
CID 113068123
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea (CID 113065748) is 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea is CS(=O)(=O)N(CCNC(=O)NC1CCCCC1)C1CCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea?
The InChIKey is NCVLZYFDZKPFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-22(20,21)18(14-9-5-6-10-14)12-11-16-15(19)17-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea?
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea has a molecular weight of 331.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea is sourced from PubChem (CID 113065748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).