2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole

C14H20N4O2S — CID 99789797

IUPAC2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O2S/c1-10(11-7-8-11)18(2)21(19,20)15-9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyRROGFRCSBUGSIP-JTQLQIEISA-N
MW308.41 g/mol
LogP1.63
Rot. Bonds6

About 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole

2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole (PubChem CID 99789797) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
PubChem CID99789797
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O2S/c1-10(11-7-8-11)18(2)21(19,20)15-9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyRROGFRCSBUGSIP-JTQLQIEISA-N
XLogP1.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
CID 95968803
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole (CID 99789797) is 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole is C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole?
The InChIKey is RROGFRCSBUGSIP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(11-7-8-11)18(2)21(19,20)15-9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole?
2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole has a molecular weight of 308.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole is sourced from PubChem (CID 99789797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).