1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine

C9H18FN3O2S — CID 167878919

IUPAC1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine
SMILESCC1(F)CCCN(S(=O)(=O)N2CC(N)C2)C1
InChIInChI=1S/C9H18FN3O2S/c1-9(10)3-2-4-12(7-9)16(14,15)13-5-8(11)6-13/h8H,2-7,11H2,1H3
InChIKeyKRCBKQGKLREGOF-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.30
Rot. Bonds2

About 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine

1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine (PubChem CID 167878919) has the molecular formula C9H18FN3O2S and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine
PubChem CID167878919
Molecular FormulaC9H18FN3O2S
Molecular Weight251.33 g/mol
Exact Mass251.11
IUPAC Name1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine
SMILESCC1(F)CCCN(S(=O)(=O)N2CC(N)C2)C1
InChIInChI=1S/C9H18FN3O2S/c1-9(10)3-2-4-12(7-9)16(14,15)13-5-8(11)6-13/h8H,2-7,11H2,1H3
InChIKeyKRCBKQGKLREGOF-UHFFFAOYSA-N
XLogP-0.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-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

1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
3-fluoro-3-methylpiperidin-1-amine
CID 118303158
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 115872498
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145667
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 64987808
1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
CID 128580754

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine (CID 167878919) is 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine is CC1(F)CCCN(S(=O)(=O)N2CC(N)C2)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine?
The InChIKey is KRCBKQGKLREGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O2S/c1-9(10)3-2-4-12(7-9)16(14,15)13-5-8(11)6-13/h8H,2-7,11H2,1H3.
What are the key properties of 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine?
1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine has a molecular weight of 251.33 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine is sourced from PubChem (CID 167878919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).