N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine

C18H29N5O2S — CID 26406669

IUPACN-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)CCn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H29N5O2S/c1-14(2)6-9-23-17(11-21-18(23)26(24,25)15(3)4)13-22(5)12-16-10-19-7-8-20-16/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3
InChIKeyKHQYOVXNIDXYPY-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.53
Rot. Bonds9

About N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine

N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 26406669) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID26406669
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC NameN-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)CCn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H29N5O2S/c1-14(2)6-9-23-17(11-21-18(23)26(24,25)15(3)4)13-22(5)12-16-10-19-7-8-20-16/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3
InChIKeyKHQYOVXNIDXYPY-UHFFFAOYSA-N
XLogP2.53
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Cyclopropyl-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862551
2-(Cyclopropylmethyl)-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862552
({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
4-[(1-isobutyl-1H-imidazol-5-yl)methyl]thiomorpholine 1,1-dioxide
CID 91844196
5-[(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N,N,1-trimethylimidazol-2-amine
CID 136548920
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
Sdccgsbi-0117210.P001
CID 42098108
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
3-Ethylsulfonylimidazo[1,5-a]pyrazine
CID 298358
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine (CID 26406669) is N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine is CC(C)CCn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is KHQYOVXNIDXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-14(2)6-9-23-17(11-21-18(23)26(24,25)15(3)4)13-22(5)12-16-10-19-7-8-20-16/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3.
What are the key properties of N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 379.53 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 26406669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).