N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

C22H40N4O2S — CID 30722304

IUPACN-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESCC(C)Cn1c(CN(C)CC2(N3CCCCC3)CCCCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C22H40N4O2S/c1-19(2)16-26-20(15-23-21(26)29(4,27)28)17-24(3)18-22(11-7-5-8-12-22)25-13-9-6-10-14-25/h15,19H,5-14,16-18H2,1-4H3
InChIKeyVOECUZZPWABCAV-UHFFFAOYSA-N
MW424.66 g/mol
LogP3.56
Rot. Bonds8

About N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (PubChem CID 30722304) has the molecular formula C22H40N4O2S and a molecular weight of 424.66 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
PubChem CID30722304
Molecular FormulaC22H40N4O2S
Molecular Weight424.66 g/mol
Exact Mass424.29
IUPAC NameN-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESCC(C)Cn1c(CN(C)CC2(N3CCCCC3)CCCCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C22H40N4O2S/c1-19(2)16-26-20(15-23-21(26)29(4,27)28)17-24(3)18-22(11-7-5-8-12-22)25-13-9-6-10-14-25/h15,19H,5-14,16-18H2,1-4H3
InChIKeyVOECUZZPWABCAV-UHFFFAOYSA-N
XLogP3.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 25287503
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methyl-N-(2-pyrazinylmethyl)methanamine
CID 26406669
4-(1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)thiomorpholine
CID 28310699
1-cyclohexyl-4-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}piperazine
CID 28393918
4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)thiomorpholine
CID 28811598

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (CID 30722304) is N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is CC(C)Cn1c(CN(C)CC2(N3CCCCC3)CCCCC2)cnc1S(C)(=O)=O.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The InChIKey is VOECUZZPWABCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2S/c1-19(2)16-26-20(15-23-21(26)29(4,27)28)17-24(3)18-22(11-7-5-8-12-22)25-13-9-6-10-14-25/h15,19H,5-14,16-18H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine has a molecular weight of 424.66 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 30722304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).