1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine

C16H24N2O2S — CID 43511595

IUPAC1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
SMILESO=S1(=O)CCC(Nc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C16H24N2O2S/c19-21(20)12-8-14(9-13-21)17-15-6-2-3-7-16(15)18-10-4-1-5-11-18/h2-3,6-7,14,17H,1,4-5,8-13H2
InChIKeyHBMWNECAISKXSW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.67
Rot. Bonds3

About 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine

1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine (PubChem CID 43511595) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
PubChem CID43511595
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
SMILESO=S1(=O)CCC(Nc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C16H24N2O2S/c19-21(20)12-8-14(9-13-21)17-15-6-2-3-7-16(15)18-10-4-1-5-11-18/h2-3,6-7,14,17H,1,4-5,8-13H2
InChIKeyHBMWNECAISKXSW-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
CID 79724003
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
4-(1,1-dioxothiolane-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 47032782
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
CID 65070370
N-(2-nitrophenyl)-1,1-dioxothian-4-amine
CID 43615402
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-[2-(azepan-1-yl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 42891319
1,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 81466711

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine (CID 43511595) is 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine is O=S1(=O)CCC(Nc2ccccc2N2CCCCC2)CC1.
What is the InChIKey of 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine?
The InChIKey is HBMWNECAISKXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20)12-8-14(9-13-21)17-15-6-2-3-7-16(15)18-10-4-1-5-11-18/h2-3,6-7,14,17H,1,4-5,8-13H2.
What are the key properties of 1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine?
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.67, 3 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-ylphenyl)thian-4-amine is sourced from PubChem (CID 43511595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).