1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine

C16H28N4O3S — CID 91920583

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine
SMILESCC(C)CN(C1CCOCC1)C1CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C16H28N4O3S/c1-13(2)8-20(14-4-6-23-7-5-14)15-9-19(10-15)24(21,22)16-11-18(3)12-17-16/h11-15H,4-10H2,1-3H3
InChIKeyZMMZYMJAMSUBIZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.93
Rot. Bonds6

About 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine

1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine (PubChem CID 91920583) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine
PubChem CID91920583
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine
SMILESCC(C)CN(C1CCOCC1)C1CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C16H28N4O3S/c1-13(2)8-20(14-4-6-23-7-5-14)15-9-19(10-15)24(21,22)16-11-18(3)12-17-16/h11-15H,4-10H2,1-3H3
InChIKeyZMMZYMJAMSUBIZ-UHFFFAOYSA-N
XLogP0.93
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-Dimethyl-N-[(4-methyltetrahydro-2H-pyran-4-YL)methyl]-1H-imidazole-4-sulfonamide
CID 71686948
N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
CID 71686954
1-methyl-N-propyl-N-(tetrahydro-3-furanylmethyl)-1H-imidazole-4-sulfonamide
CID 91905714
N-cyclopropylmethyl-N-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-azetanyl}-N-tetrahydro-2H-pyran-4-ylamine
CID 91909806
N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]azetidin-3-YL}-N-(oxan-4-YL)methanesulfonamide
CID 91909816
N'-isopropyl-N-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-azetanyl}-N-tetrahydro-2H-pyran-4-ylurea
CID 91920597
7-(1-Methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 134071805
1-Methyl-4-(2-propan-2-ylazetidin-1-yl)sulfonylimidazole
CID 172087542
1-methyl-4-[(2S)-2-propan-2-ylazetidin-1-yl]sulfonylimidazole
CID 172087593
1-methyl-4-[(2R)-2-propan-2-ylazetidin-1-yl]sulfonylimidazole
CID 172087646
3-(Oxan-3-yl)imidazole-4-sulfonamide
CID 176396736
1-(Oxan-4-yl)imidazole-4-sulfonyl chloride
CID 64144108

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine (CID 91920583) is 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine is CC(C)CN(C1CCOCC1)C1CN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine?
The InChIKey is ZMMZYMJAMSUBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-13(2)8-20(14-4-6-23-7-5-14)15-9-19(10-15)24(21,22)16-11-18(3)12-17-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine?
1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine has a molecular weight of 356.49 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine is sourced from PubChem (CID 91920583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).