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

C18H33N3O3S — CID 42595872

IUPACN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine
SMILESCC(C)CCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H33N3O3S/c1-14(2)6-9-21-17(12-19-18(21)25(22,23)15(3)4)13-20(5)16-7-10-24-11-8-16/h12,14-16H,6-11,13H2,1-5H3
InChIKeyFKMJBOFSGXULRD-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.72
Rot. Bonds8

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

N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine (PubChem CID 42595872) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine
PubChem CID42595872
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine
SMILESCC(C)CCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H33N3O3S/c1-14(2)6-9-21-17(12-19-18(21)25(22,23)15(3)4)13-20(5)16-7-10-24-11-8-16/h12,14-16H,6-11,13H2,1-5H3
InChIKeyFKMJBOFSGXULRD-UHFFFAOYSA-N
XLogP2.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
Sdccgsbi-0114825.P001
CID 28394144
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine (CID 42595872) is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine is CC(C)CCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine?
The InChIKey is FKMJBOFSGXULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-14(2)6-9-21-17(12-19-18(21)25(22,23)15(3)4)13-20(5)16-7-10-24-11-8-16/h12,14-16H,6-11,13H2,1-5H3.
What are the key properties of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine?
N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]oxan-4-amine has a molecular weight of 371.55 g/mol, XLogP of 2.72, 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]oxan-4-amine is sourced from PubChem (CID 42595872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).