N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine

C13H21N3O2S — CID 106642245

IUPACN-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCN1)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-3-4-8-14-11)13-12(19(2,17)18)7-5-9-15-13/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3
InChIKeyOEPRSZAKWAONBD-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.06
Rot. Bonds4

About N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine

N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106642245) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
PubChem CID106642245
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCN1)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-3-4-8-14-11)13-12(19(2,17)18)7-5-9-15-13/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3
InChIKeyOEPRSZAKWAONBD-UHFFFAOYSA-N
XLogP1.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
CID 106641104
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187
N-methyl-3-methylsulfonyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 114599260
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine (CID 106642245) is N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine is CN(CC1CCCCN1)c1ncccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is OEPRSZAKWAONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(10-11-6-3-4-8-14-11)13-12(19(2,17)18)7-5-9-15-13/h5,7,9,11,14H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine?
N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106642245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).