1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine

C11H22N2O2S2 — CID 43432062

IUPAC1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C11H22N2O2S2/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3
InChIKeyIGRQMISGMIUBIG-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.90
Rot. Bonds3

About 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine

1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 43432062) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID43432062
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C11H22N2O2S2/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3
InChIKeyIGRQMISGMIUBIG-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine (CID 43432062) is 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is IGRQMISGMIUBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine?
1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 43432062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).