1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine

C12H20N2O2S2 — CID 119979998

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
InChIInChI=1S/C12H20N2O2S2/c1-9-8-12(10(2)17-9)18(15,16)14-6-4-11(13-3)5-7-14/h8,11,13H,4-7H2,1-3H3
InChIKeyHTHRCHSNLISQOE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.74
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine

1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979998) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979998
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
InChIInChI=1S/C12H20N2O2S2/c1-9-8-12(10(2)17-9)18(15,16)14-6-4-11(13-3)5-7-14/h8,11,13H,4-7H2,1-3H3
InChIKeyHTHRCHSNLISQOE-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62218191
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146
[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
CID 31191778
3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile
CID 119050312

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine (CID 119979998) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is HTHRCHSNLISQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-8-12(10(2)17-9)18(15,16)14-6-4-11(13-3)5-7-14/h8,11,13H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).