1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine

C14H28N2O2S2 — CID 105166960

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CC2CCSCC2)C1
InChIInChI=1S/C14H28N2O2S2/c1-20(17,18)16-6-2-3-13(11-16)10-14(15)9-12-4-7-19-8-5-12/h12-14H,2-11,15H2,1H3
InChIKeyQAWOPDUTTVDMPU-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.91
Rot. Bonds5

About 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine

1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine (PubChem CID 105166960) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
PubChem CID105166960
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CC2CCSCC2)C1
InChIInChI=1S/C14H28N2O2S2/c1-20(17,18)16-6-2-3-13(11-16)10-14(15)9-12-4-7-19-8-5-12/h12-14H,2-11,15H2,1H3
InChIKeyQAWOPDUTTVDMPU-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
4,6,6-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)heptan-2-amine
CID 105010999
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166994
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
1-(1,1-dioxothiolan-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622150
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine (CID 105166960) is 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine is CS(=O)(=O)N1CCCC(CC(N)CC2CCSCC2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine?
The InChIKey is QAWOPDUTTVDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-20(17,18)16-6-2-3-13(11-16)10-14(15)9-12-4-7-19-8-5-12/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine?
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine has a molecular weight of 320.52 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105166960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).