1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C18H32N4O2S — CID 45220137

IUPAC1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1
InChIInChI=1S/C18H32N4O2S/c1-20(2)16-9-10-21(13-16)14-17-11-19-18(25(3,23)24)22(17)12-15-7-5-4-6-8-15/h11,15-16H,4-10,12-14H2,1-3H3
InChIKeyNUMYRJQRQRIYQQ-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.00
Rot. Bonds6

About 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 45220137) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID45220137
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1
InChIInChI=1S/C18H32N4O2S/c1-20(2)16-9-10-21(13-16)14-17-11-19-18(25(3,23)24)22(17)12-15-7-5-4-6-8-15/h11,15-16H,4-10,12-14H2,1-3H3
InChIKeyNUMYRJQRQRIYQQ-UHFFFAOYSA-N
XLogP2.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 45220137) is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1.
What is the InChIKey of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NUMYRJQRQRIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-20(2)16-9-10-21(13-16)14-17-11-19-18(25(3,23)24)22(17)12-15-7-5-4-6-8-15/h11,15-16H,4-10,12-14H2,1-3H3.
What are the key properties of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 368.55 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 45220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).