6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine

C11H16N2O2S2 — CID 107131447

IUPAC6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCC2CCSC2)cn1
InChIInChI=1S/C11H16N2O2S2/c1-17(14,15)11-3-2-10(7-13-11)12-6-9-4-5-16-8-9/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyAMIVEEFUNPTSPJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds4

About 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine

6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine (PubChem CID 107131447) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
PubChem CID107131447
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCC2CCSC2)cn1
InChIInChI=1S/C11H16N2O2S2/c1-17(14,15)11-3-2-10(7-13-11)12-6-9-4-5-16-8-9/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyAMIVEEFUNPTSPJ-UHFFFAOYSA-N
XLogP1.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
CID 43675328
4-methylsulfonyl-N-(thian-4-ylmethyl)aniline
CID 113412268
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine (CID 107131447) is 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine is CS(=O)(=O)c1ccc(NCC2CCSC2)cn1.
What is the InChIKey of 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The InChIKey is AMIVEEFUNPTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-17(14,15)11-3-2-10(7-13-11)12-6-9-4-5-16-8-9/h2-3,7,9,12H,4-6,8H2,1H3.
What are the key properties of 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine?
6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine has a molecular weight of 272.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 107131447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).