1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea

C14H21N3O3S — CID 94183108

IUPAC1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-7-12(10)9-17-14(18)16-8-11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15H,7-9H2,1-2H3,(H2,16,17,18)/t10-,12-/m1/s1
InChIKeyCNEDFRFJPGVBBV-ZYHUDNBSSA-N
MW311.41 g/mol
LogP1.05
Rot. Bonds6

About 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea

1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea (PubChem CID 94183108) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea
PubChem CID94183108
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-7-12(10)9-17-14(18)16-8-11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15H,7-9H2,1-2H3,(H2,16,17,18)/t10-,12-/m1/s1
InChIKeyCNEDFRFJPGVBBV-ZYHUDNBSSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea with MolForge

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Related Compounds

5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97313536
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
CID 113463674
3-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]benzoic acid
CID 113464047
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47189594
3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 86777227
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111622859
4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55909885
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea (CID 94183108) is 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea is CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1.
What is the InChIKey of 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea?
The InChIKey is CNEDFRFJPGVBBV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-7-12(10)9-17-14(18)16-8-11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15H,7-9H2,1-2H3,(H2,16,17,18)/t10-,12-/m1/s1.
What are the key properties of 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea?
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea has a molecular weight of 311.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 94183108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).