1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea

C12H25N3O3S — CID 113065754

IUPAC1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-10(2)14-12(16)13-8-9-15(19(3,17)18)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyLPZYRFRZGUEJJU-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea

1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea (PubChem CID 113065754) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
PubChem CID113065754
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-10(2)14-12(16)13-8-9-15(19(3,17)18)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyLPZYRFRZGUEJJU-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136242
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea (CID 113065754) is 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea?
The InChIKey is LPZYRFRZGUEJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(2)14-12(16)13-8-9-15(19(3,17)18)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea?
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea has a molecular weight of 291.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113065754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).