N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine

C12H20N2O3S — CID 114598927

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
SMILESCOCC(Nc1ncccc1S(C)(=O)=O)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)10(8-17-3)14-12-11(18(4,15)16)6-5-7-13-12/h5-7,9-10H,8H2,1-4H3,(H,13,14)
InChIKeyNWKQBLPIKSVOSO-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.57
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine

N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598927) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598927
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
SMILESCOCC(Nc1ncccc1S(C)(=O)=O)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)10(8-17-3)14-12-11(18(4,15)16)6-5-7-13-12/h5-7,9-10H,8H2,1-4H3,(H,13,14)
InChIKeyNWKQBLPIKSVOSO-UHFFFAOYSA-N
XLogP1.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
N-(4-chloro-1-methoxybutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114150906
3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 115923095
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine (CID 114598927) is N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine is COCC(Nc1ncccc1S(C)(=O)=O)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is NWKQBLPIKSVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)10(8-17-3)14-12-11(18(4,15)16)6-5-7-13-12/h5-7,9-10H,8H2,1-4H3,(H,13,14).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 272.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).