1-butylsulfonyl-N-methylazetidin-3-amine

C8H18N2O2S — CID 91812394

IUPAC1-butylsulfonyl-N-methylazetidin-3-amine
SMILESCCCCS(=O)(=O)N1CC(NC)C1
InChIInChI=1S/C8H18N2O2S/c1-3-4-5-13(11,12)10-6-8(7-10)9-2/h8-9H,3-7H2,1-2H3
InChIKeyWBGIVZRPYSUANE-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds5

About 1-butylsulfonyl-N-methylazetidin-3-amine

1-butylsulfonyl-N-methylazetidin-3-amine (PubChem CID 91812394) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-butylsulfonyl-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-butylsulfonyl-N-methylazetidin-3-amine
PubChem CID91812394
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-butylsulfonyl-N-methylazetidin-3-amine
SMILESCCCCS(=O)(=O)N1CC(NC)C1
InChIInChI=1S/C8H18N2O2S/c1-3-4-5-13(11,12)10-6-8(7-10)9-2/h8-9H,3-7H2,1-2H3
InChIKeyWBGIVZRPYSUANE-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-butylsulfonylpiperazine
CID 16769079
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
(3S,4S)-4-methyl-1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122103892
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
CID 178076415

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-methylazetidin-3-amine?
The IUPAC name of 1-butylsulfonyl-N-methylazetidin-3-amine (CID 91812394) is 1-butylsulfonyl-N-methylazetidin-3-amine.
What is the SMILES notation for 1-butylsulfonyl-N-methylazetidin-3-amine?
The canonical SMILES for 1-butylsulfonyl-N-methylazetidin-3-amine is CCCCS(=O)(=O)N1CC(NC)C1.
What is the InChIKey of 1-butylsulfonyl-N-methylazetidin-3-amine?
The InChIKey is WBGIVZRPYSUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-4-5-13(11,12)10-6-8(7-10)9-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-butylsulfonyl-N-methylazetidin-3-amine?
1-butylsulfonyl-N-methylazetidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-methylazetidin-3-amine is sourced from PubChem (CID 91812394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).