1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine

C13H26N2O2S — CID 63921831

IUPAC1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
SMILESCC(CNC1CCCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-12(15-7-3-2-4-8-15)10-14-13-6-5-9-18(16,17)11-13/h12-14H,2-11H2,1H3
InChIKeyBPIJIMBQGJMZRE-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds4

About 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine

1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine (PubChem CID 63921831) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
PubChem CID63921831
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
SMILESCC(CNC1CCCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-12(15-7-3-2-4-8-15)10-14-13-6-5-9-18(16,17)11-13/h12-14H,2-11H2,1H3
InChIKeyBPIJIMBQGJMZRE-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
CID 62568807
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclopentanamine
CID 62568806
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54899357
(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
CID 96547556
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
N-(2-piperidin-1-ylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448376

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine?
The IUPAC name of 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine (CID 63921831) is 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine is CC(CNC1CCCS(=O)(=O)C1)N1CCCCC1.
What is the InChIKey of 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine?
The InChIKey is BPIJIMBQGJMZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(15-7-3-2-4-8-15)10-14-13-6-5-9-18(16,17)11-13/h12-14H,2-11H2,1H3.
What are the key properties of 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine?
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine has a molecular weight of 274.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine is sourced from PubChem (CID 63921831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).