N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide

C13H17N3O2S — CID 125436765

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O2S/c1-9(15-19(17,18)10-7-8-10)13-14-11-5-3-4-6-12(11)16(13)2/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyGBYBQFJGLPYAJJ-SECBINFHSA-N
MW279.36 g/mol
LogP1.72
Rot. Bonds4

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide (PubChem CID 125436765) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
PubChem CID125436765
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O2S/c1-9(15-19(17,18)10-7-8-10)13-14-11-5-3-4-6-12(11)16(13)2/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyGBYBQFJGLPYAJJ-SECBINFHSA-N
XLogP1.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,1-dioxothian-4-amine
CID 43614991
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103911011
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide (CID 125436765) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide is C[C@@H](NS(=O)(=O)C1CC1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is GBYBQFJGLPYAJJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(15-19(17,18)10-7-8-10)13-14-11-5-3-4-6-12(11)16(13)2/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 125436765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).