N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide

C14H21N5O2S — CID 91923965

IUPACN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1CC1CC1
InChIInChI=1S/C14H21N5O2S/c1-11-7-15-13(19(11)8-12-3-4-12)5-6-17-22(20,21)14-9-18(2)10-16-14/h7,9-10,12,17H,3-6,8H2,1-2H3
InChIKeyDZJJFYGOXSZMNH-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.86
Rot. Bonds7

About N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide

N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 91923965) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID91923965
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1CC1CC1
InChIInChI=1S/C14H21N5O2S/c1-11-7-15-13(19(11)8-12-3-4-12)5-6-17-22(20,21)14-9-18(2)10-16-14/h7,9-10,12,17H,3-6,8H2,1-2H3
InChIKeyDZJJFYGOXSZMNH-UHFFFAOYSA-N
XLogP0.86
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-cyclobutyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 91911671
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 91911692
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-propanesulfonamide
CID 91911722
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 91923843
1-methyl-1H-imidazol-4-yl [3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1-pyrrolidinyl] sulfone
CID 91923874
5-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole
CID 91923881
5-Methyl-2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]-1-propan-2-ylimidazole
CID 124046162
1-propan-2-yl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129002339
1,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129005385
1-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129336924
1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129336925
1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129341366

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide (CID 91923965) is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide is Cc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1CC1CC1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is DZJJFYGOXSZMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-11-7-15-13(19(11)8-12-3-4-12)5-6-17-22(20,21)14-9-18(2)10-16-14/h7,9-10,12,17H,3-6,8H2,1-2H3.
What are the key properties of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 91923965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).