N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine

C17H31N3O3S — CID 45186470

IUPACN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine
SMILESCC(C)CCn1c(CN(C)C2CCOC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H31N3O3S/c1-13(2)6-8-20-16(11-19(5)15-7-9-23-12-15)10-18-17(20)24(21,22)14(3)4/h10,13-15H,6-9,11-12H2,1-5H3
InChIKeyFZCRHNZIOCLFGG-UHFFFAOYSA-N
MW357.52 g/mol
LogP2.33
Rot. Bonds8

About N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine

N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine (PubChem CID 45186470) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine
PubChem CID45186470
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine
SMILESCC(C)CCn1c(CN(C)C2CCOC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H31N3O3S/c1-13(2)6-8-20-16(11-19(5)15-7-9-23-12-15)10-18-17(20)24(21,22)14(3)4/h10,13-15H,6-9,11-12H2,1-5H3
InChIKeyFZCRHNZIOCLFGG-UHFFFAOYSA-N
XLogP2.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine (CID 45186470) is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine is CC(C)CCn1c(CN(C)C2CCOC2)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine?
The InChIKey is FZCRHNZIOCLFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-13(2)6-8-20-16(11-19(5)15-7-9-23-12-15)10-18-17(20)24(21,22)14(3)4/h10,13-15H,6-9,11-12H2,1-5H3.
What are the key properties of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine?
N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine has a molecular weight of 357.52 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 45186470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).