3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine

C10H15ClN2O2S — CID 133386738

IUPAC3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13)
InChIKeyZNWOJKNIYHOOIE-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine

3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine (PubChem CID 133386738) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
PubChem CID133386738
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13)
InChIKeyZNWOJKNIYHOOIE-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-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

2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
4-(3,4-dichlorophenyl)-N-(4-methylsulfonylbutan-2-yl)phthalazin-1-amine
CID 133386864
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine (CID 133386738) is 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine is CC(CCS(C)(=O)=O)Nc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The InChIKey is ZNWOJKNIYHOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine has a molecular weight of 262.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 133386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).