1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C20H32N4O2S2 — CID 26391202

IUPAC1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c1-4-5-11-24-18(14-23(3)13-17-15-27-16(2)22-17)12-21-20(24)28(25,26)19-9-7-6-8-10-19/h12,15,19H,4-11,13-14H2,1-3H3
InChIKeyRFPIRYGWIKJHJH-UHFFFAOYSA-N
MW424.64 g/mol
LogP4.19
Rot. Bonds9

About 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 26391202) has the molecular formula C20H32N4O2S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID26391202
Molecular FormulaC20H32N4O2S2
Molecular Weight424.64 g/mol
Exact Mass424.20
IUPAC Name1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c1-4-5-11-24-18(14-23(3)13-17-15-27-16(2)22-17)12-21-20(24)28(25,26)19-9-7-6-8-10-19/h12,15,19H,4-11,13-14H2,1-3H3
InChIKeyRFPIRYGWIKJHJH-UHFFFAOYSA-N
XLogP4.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 26391202) is 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is CCCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is RFPIRYGWIKJHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S2/c1-4-5-11-24-18(14-23(3)13-17-15-27-16(2)22-17)12-21-20(24)28(25,26)19-9-7-6-8-10-19/h12,15,19H,4-11,13-14H2,1-3H3.
What are the key properties of 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 424.64 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 26391202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).