1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine

C13H26N2O2S2 — CID 62871995

IUPAC1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCSC2)CC1
InChIInChI=1S/C13H26N2O2S2/c1-2-10-19(16,17)15-7-5-12(6-8-15)14-13-4-3-9-18-11-13/h12-14H,2-11H2,1H3
InChIKeyHAPUZQNJSDQYOU-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.68
Rot. Bonds5

About 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine

1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine (PubChem CID 62871995) has the molecular formula C13H26N2O2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
PubChem CID62871995
Molecular FormulaC13H26N2O2S2
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCSC2)CC1
InChIInChI=1S/C13H26N2O2S2/c1-2-10-19(16,17)15-7-5-12(6-8-15)14-13-4-3-9-18-11-13/h12-14H,2-11H2,1H3
InChIKeyHAPUZQNJSDQYOU-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine?
The IUPAC name of 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine (CID 62871995) is 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine?
The canonical SMILES for 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2CCCSC2)CC1.
What is the InChIKey of 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine?
The InChIKey is HAPUZQNJSDQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S2/c1-2-10-19(16,17)15-7-5-12(6-8-15)14-13-4-3-9-18-11-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine?
1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine has a molecular weight of 306.50 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine is sourced from PubChem (CID 62871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).