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

C16H30N2O2S — CID 79541542

IUPAC1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
SMILESO=S1(=O)CCCC(NC2CCCCC2C2CCCCN2)C1
InChIInChI=1S/C16H30N2O2S/c19-21(20)11-5-6-13(12-21)18-16-9-2-1-7-14(16)15-8-3-4-10-17-15/h13-18H,1-12H2
InChIKeyJGXWKHYRXAOQLT-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.85
Rot. Bonds3

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

1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine (PubChem CID 79541542) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
PubChem CID79541542
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
SMILESO=S1(=O)CCCC(NC2CCCCC2C2CCCCN2)C1
InChIInChI=1S/C16H30N2O2S/c19-21(20)11-5-6-13(12-21)18-16-9-2-1-7-14(16)15-8-3-4-10-17-15/h13-18H,1-12H2
InChIKeyJGXWKHYRXAOQLT-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123
3-[(2-piperidin-2-ylcyclohexyl)amino]cyclobutan-1-ol
CID 79552583
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
2-[(1,1-dioxothian-3-yl)amino]cycloheptane-1-carbonitrile
CID 63923529
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
CID 63924783
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
CID 128748620
4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
CID 114155168
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine?
The IUPAC name of 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine (CID 79541542) is 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine is O=S1(=O)CCCC(NC2CCCCC2C2CCCCN2)C1.
What is the InChIKey of 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine?
The InChIKey is JGXWKHYRXAOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c19-21(20)11-5-6-13(12-21)18-16-9-2-1-7-14(16)15-8-3-4-10-17-15/h13-18H,1-12H2.
What are the key properties of 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine?
1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine has a molecular weight of 314.50 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine is sourced from PubChem (CID 79541542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).