N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine

C13H21N3O2S — CID 105419005

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCN(C)C1(CNc2ncccc2S(C)(=O)=O)CCC1
InChIInChI=1S/C13H21N3O2S/c1-16(2)13(7-5-8-13)10-15-12-11(19(3,17)18)6-4-9-14-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyZSTPXDOAMUSBMI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.38
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 105419005) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID105419005
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCN(C)C1(CNc2ncccc2S(C)(=O)=O)CCC1
InChIInChI=1S/C13H21N3O2S/c1-16(2)13(7-5-8-13)10-15-12-11(19(3,17)18)6-4-9-14-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyZSTPXDOAMUSBMI-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-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

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 105420260
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-propoxypyridin-2-amine
CID 105419140
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114598931
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine (CID 105419005) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine is CN(C)C1(CNc2ncccc2S(C)(=O)=O)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is ZSTPXDOAMUSBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(2)13(7-5-8-13)10-15-12-11(19(3,17)18)6-4-9-14-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,14,15).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 105419005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).