1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

C13H22N4O3S2 — CID 102563663

IUPAC1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1NS(C)(=O)=O)c1nccs1
InChIInChI=1S/C13H22N4O3S2/c1-9(12-14-7-8-21-12)15-13(18)16-10-5-3-4-6-11(10)17-22(2,19)20/h7-11,17H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyOIJGLCKWCLRHDV-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.36
Rot. Bonds5

About 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 102563663) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID102563663
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC Name1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1NS(C)(=O)=O)c1nccs1
InChIInChI=1S/C13H22N4O3S2/c1-9(12-14-7-8-21-12)15-13(18)16-10-5-3-4-6-11(10)17-22(2,19)20/h7-11,17H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyOIJGLCKWCLRHDV-UHFFFAOYSA-N
XLogP1.36
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-pentyl-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97215596
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 99823672
2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 124573274
1-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 128970806
1-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-[(2S)-1-methylsulfanylpropan-2-yl]urea
CID 129332658
1-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 129332659
1-[Cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea
CID 71869807
N-propyl-2-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67257851
1-(1,3-Thiazol-2-yl)pentan-2-ylurea
CID 70014153
1-(1,3-Thiazol-2-yl)pentylurea
CID 70015540
1,3-Bis[1-(1,3-thiazol-2-yl)propyl]urea
CID 177723536
1-(1-Ethylpiperidin-3-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 47088331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (CID 102563663) is 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is CC(NC(=O)NC1CCCCC1NS(C)(=O)=O)c1nccs1.
What is the InChIKey of 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is OIJGLCKWCLRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c1-9(12-14-7-8-21-12)15-13(18)16-10-5-3-4-6-11(10)17-22(2,19)20/h7-11,17H,3-6H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)cyclohexyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 102563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).