5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine

C12H17NO2S2 — CID 79942473

IUPAC5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2cccc(S(C)(=O)=O)c2)CS1
InChIInChI=1S/C12H17NO2S2/c1-9-6-11(8-16-9)13-10-4-3-5-12(7-10)17(2,14)15/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyZPSGNRWKMLYHAG-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.40
Rot. Bonds3

About 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine

5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine (PubChem CID 79942473) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
PubChem CID79942473
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2cccc(S(C)(=O)=O)c2)CS1
InChIInChI=1S/C12H17NO2S2/c1-9-6-11(8-16-9)13-10-4-3-5-12(7-10)17(2,14)15/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyZPSGNRWKMLYHAG-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
CID 115376345
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79949483
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942375
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252491
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 60923902

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine (CID 79942473) is 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine is CC1CC(Nc2cccc(S(C)(=O)=O)c2)CS1.
What is the InChIKey of 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine?
The InChIKey is ZPSGNRWKMLYHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-9-6-11(8-16-9)13-10-4-3-5-12(7-10)17(2,14)15/h3-5,7,9,11,13H,6,8H2,1-2H3.
What are the key properties of 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine?
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine has a molecular weight of 271.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine is sourced from PubChem (CID 79942473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).