1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea

C12H20N4O3S2 — CID 167932968

IUPAC1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)Nc1cnsc1
InChIInChI=1S/C12H20N4O3S2/c1-21(18,19)16-11-5-3-2-4-9(11)6-13-12(17)15-10-7-14-20-8-10/h7-9,11,16H,2-6H2,1H3,(H2,13,15,17)
InChIKeyMAQDXSQCMRJBLZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.37
Rot. Bonds5

About 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea

1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea (PubChem CID 167932968) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea
PubChem CID167932968
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea
SMILESCS(=O)(=O)NC1CCCCC1CNC(=O)Nc1cnsc1
InChIInChI=1S/C12H20N4O3S2/c1-21(18,19)16-11-5-3-2-4-9(11)6-13-12(17)15-10-7-14-20-8-10/h7-9,11,16H,2-6H2,1H3,(H2,13,15,17)
InChIKeyMAQDXSQCMRJBLZ-UHFFFAOYSA-N
XLogP1.37
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124572390
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 126801738
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
trans-(1R,2R)-2-(2-chlorophenyl)-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 154864550
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
CID 119821628
2-indazol-1-yl-N-[[(1R,2R)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539483
2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539486
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992414
(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
CID 124733780
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea?
The IUPAC name of 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea (CID 167932968) is 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea.
What is the SMILES notation for 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea?
The canonical SMILES for 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea is CS(=O)(=O)NC1CCCCC1CNC(=O)Nc1cnsc1.
What is the InChIKey of 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea?
The InChIKey is MAQDXSQCMRJBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-21(18,19)16-11-5-3-2-4-9(11)6-13-12(17)15-10-7-14-20-8-10/h7-9,11,16H,2-6H2,1H3,(H2,13,15,17).
What are the key properties of 1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea?
1-[[2-(methanesulfonamido)cyclohexyl]methyl]-3-(1,2-thiazol-4-yl)urea has a molecular weight of 332.45 g/mol, XLogP of 1.37, 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]methyl]-3-(1,2-thiazol-4-yl)urea is sourced from PubChem (CID 167932968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).