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

C16H24N4O2S — CID 95289819

IUPAC2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)nc2ccccc21
InChIInChI=1S/C16H24N4O2S/c1-4-20-15-8-6-5-7-14(15)18-16(20)11-17-23(21,22)19(3)12(2)13-9-10-13/h5-8,12-13,17H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyCGFMRFGHNNLXPQ-LBPRGKRZSA-N
MW336.46 g/mol
LogP2.12
Rot. Bonds7

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

2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole (PubChem CID 95289819) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole
PubChem CID95289819
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)nc2ccccc21
InChIInChI=1S/C16H24N4O2S/c1-4-20-15-8-6-5-7-14(15)18-16(20)11-17-23(21,22)19(3)12(2)13-9-10-13/h5-8,12-13,17H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyCGFMRFGHNNLXPQ-LBPRGKRZSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
CID 99789797
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
CID 95968803
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 71935215
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511

Frequently Asked Questions

What is the IUPAC name of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole?
The IUPAC name of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole (CID 95289819) is 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole is CCn1c(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)nc2ccccc21.
What is the InChIKey of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole?
The InChIKey is CGFMRFGHNNLXPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-20-15-8-6-5-7-14(15)18-16(20)11-17-23(21,22)19(3)12(2)13-9-10-13/h5-8,12-13,17H,4,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole?
2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole has a molecular weight of 336.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 95289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).