5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine

C10H16N2O2S2 — CID 115921453

IUPAC5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
SMILESCSc1ccc(NC(C)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H16N2O2S2/c1-8(7-16(3,13)14)12-10-5-4-9(15-2)6-11-10/h4-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyRWASBBATMAWEGM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.65
Rot. Bonds5

About 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine

5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine (PubChem CID 115921453) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
PubChem CID115921453
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
SMILESCSc1ccc(NC(C)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H16N2O2S2/c1-8(7-16(3,13)14)12-10-5-4-9(15-2)6-11-10/h4-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyRWASBBATMAWEGM-UHFFFAOYSA-N
XLogP1.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 64642249
N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
CID 115921450
N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
CID 115921477
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 115417074
3-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630917
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
N-methyl-5-methylsulfanylpyridin-2-amine
CID 68974266
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804
N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide
CID 143937565
methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286282

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine (CID 115921453) is 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine is CSc1ccc(NC(C)CS(C)(=O)=O)nc1.
What is the InChIKey of 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine?
The InChIKey is RWASBBATMAWEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8(7-16(3,13)14)12-10-5-4-9(15-2)6-11-10/h4-6,8H,7H2,1-3H3,(H,11,12).
What are the key properties of 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine?
5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115921453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).