N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine

C13H21N3O2S — CID 107174187

IUPACN-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
SMILESCN(c1ncccc1S(C)(=O)=O)C1CCCNCC1
InChIInChI=1S/C13H21N3O2S/c1-16(11-5-3-8-14-10-7-11)13-12(19(2,17)18)6-4-9-15-13/h4,6,9,11,14H,3,5,7-8,10H2,1-2H3
InChIKeyHEJGCHCLSKPTEV-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.06
Rot. Bonds3

About N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine

N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine (PubChem CID 107174187) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
PubChem CID107174187
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
SMILESCN(c1ncccc1S(C)(=O)=O)C1CCCNCC1
InChIInChI=1S/C13H21N3O2S/c1-16(11-5-3-8-14-10-7-11)13-12(19(2,17)18)6-4-9-15-13/h4,6,9,11,14H,3,5,7-8,10H2,1-2H3
InChIKeyHEJGCHCLSKPTEV-UHFFFAOYSA-N
XLogP1.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
3-Methyl-4H-pyrido(2,3-e)-1,2,4-thiadiazine 1,1-
CID 116790
2H-Pyrido(2,3-e)-1,2,4-thiadiazine, 1,1-dioxide
CID 3054012
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
(E)-2-(benzenesulfonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 11414926
2-(Tert-butylsulfonyl)-3-(2-pyridylamino)acrylonitrile
CID 2819486
N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
CID 4825866
4H-Pyrido(2,3-e)-1,2,4-thiadiazine, 3,4-dimethyl-, 1,1-dioxide
CID 116789
N-Methyl-2-(4-methyl-1-piperazinyl)-3-pyridinesulfonamide
CID 217035
3-(Ethanesulfonyl)pyridin-2-amine
CID 15324916
2-Amino-5-sulfanilylpyridine
CID 234106
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine (CID 107174187) is N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine is CN(c1ncccc1S(C)(=O)=O)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine?
The InChIKey is HEJGCHCLSKPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(11-5-3-8-14-10-7-11)13-12(19(2,17)18)6-4-9-15-13/h4,6,9,11,14H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine?
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine has a molecular weight of 283.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine is sourced from PubChem (CID 107174187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).