1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea

C14H29N3O3S — CID 113068057

IUPAC1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
SMILESCC(C)(C)N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-14(2,3)17(21(4,19)20)11-10-15-13(18)16-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H2,15,16,18)
InChIKeyRJPZWGRKWFULDQ-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.68
Rot. Bonds5

About 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea

1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea (PubChem CID 113068057) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
PubChem CID113068057
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
SMILESCC(C)(C)N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-14(2,3)17(21(4,19)20)11-10-15-13(18)16-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H2,15,16,18)
InChIKeyRJPZWGRKWFULDQ-UHFFFAOYSA-N
XLogP1.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
CID 113140842
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
CID 113140775
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
CID 113068249
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea (CID 113068057) is 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea is CC(C)(C)N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea?
The InChIKey is RJPZWGRKWFULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-14(2,3)17(21(4,19)20)11-10-15-13(18)16-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea?
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea has a molecular weight of 319.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 113068057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).