N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine

C14H24N2O2S — CID 114598753

IUPACN-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-5-8-12(3)16-14-13(19(4,17)18)9-6-10-15-14/h6,9-12H,5,7-8H2,1-4H3,(H,15,16)
InChIKeyKIWXPAKCMIXDDB-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.11
Rot. Bonds7

About N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine

N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598753) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598753
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-5-8-12(3)16-14-13(19(4,17)18)9-6-10-15-14/h6,9-12H,5,7-8H2,1-4H3,(H,15,16)
InChIKeyKIWXPAKCMIXDDB-UHFFFAOYSA-N
XLogP3.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86277915
N,4-dimethyl-3-(methylsulfonyl)-6-phenyl-2-pyridinamine
CID 1488750
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
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837
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-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine
CID 135449119
3-(Ethanesulfonyl)pyridin-2-amine
CID 15324916
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687
N-{[4-(methylsulfanyl)phenyl]methyl}pyridin-2-amine
CID 3236190

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine (CID 114598753) is N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine is CC(C)CCCC(C)Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is KIWXPAKCMIXDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)7-5-8-12(3)16-14-13(19(4,17)18)9-6-10-15-14/h6,9-12H,5,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine?
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 284.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).