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

C16H26N4O3S — CID 91909806

IUPACN-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(N(CC3CC3)C3CCOCC3)C2)c1
InChIInChI=1S/C16H26N4O3S/c1-18-11-16(17-12-18)24(21,22)19-9-15(10-19)20(8-13-2-3-13)14-4-6-23-7-5-14/h11-15H,2-10H2,1H3
InChIKeyQIUGGFZRWAWZEE-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.68
Rot. Bonds6

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

N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine (PubChem CID 91909806) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine
PubChem CID91909806
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(N(CC3CC3)C3CCOCC3)C2)c1
InChIInChI=1S/C16H26N4O3S/c1-18-11-16(17-12-18)24(21,22)19-9-15(10-19)20(8-13-2-3-13)14-4-6-23-7-5-14/h11-15H,2-10H2,1H3
InChIKeyQIUGGFZRWAWZEE-UHFFFAOYSA-N
XLogP0.68
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
CID 121164701
6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 59529964
(2R,3aS,6aS)-2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369174
1-[(1R,3aS,7aS)-5-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylmethanamine
CID 97359979
[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91920591
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
3-methyl-6-[5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154581507
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(3S)-oxan-3-yl]pyrrolidin-3-amine
CID 90405862
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine (CID 91909806) is N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine is Cn1cnc(S(=O)(=O)N2CC(N(CC3CC3)C3CCOCC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The InChIKey is QIUGGFZRWAWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-18-11-16(17-12-18)24(21,22)19-9-15(10-19)20(8-13-2-3-13)14-4-6-23-7-5-14/h11-15H,2-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine?
N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine has a molecular weight of 354.48 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine is sourced from PubChem (CID 91909806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).