N-(4-piperidin-1-ylphenyl)thian-4-amine

C16H24N2S — CID 43715688

IUPACN-(4-piperidin-1-ylphenyl)thian-4-amine
SMILESc1cc(N2CCCCC2)ccc1NC1CCSCC1
InChIInChI=1S/C16H24N2S/c1-2-10-18(11-3-1)16-6-4-14(5-7-16)17-15-8-12-19-13-9-15/h4-7,15,17H,1-3,8-13H2
InChIKeyFZEVFARQMKPVAR-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.98
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)thian-4-amine

N-(4-piperidin-1-ylphenyl)thian-4-amine (PubChem CID 43715688) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)thian-4-amine
PubChem CID43715688
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-(4-piperidin-1-ylphenyl)thian-4-amine
SMILESc1cc(N2CCCCC2)ccc1NC1CCSCC1
InChIInChI=1S/C16H24N2S/c1-2-10-18(11-3-1)16-6-4-14(5-7-16)17-15-8-12-19-13-9-15/h4-7,15,17H,1-3,8-13H2
InChIKeyFZEVFARQMKPVAR-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
1-oxo-N-(4-pyrrolidin-1-ylphenyl)thian-4-amine
CID 54981528
1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
CID 55139850
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437
N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 103561450
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240
2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
CID 43676508

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)thian-4-amine?
The IUPAC name of N-(4-piperidin-1-ylphenyl)thian-4-amine (CID 43715688) is N-(4-piperidin-1-ylphenyl)thian-4-amine.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)thian-4-amine?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)thian-4-amine is c1cc(N2CCCCC2)ccc1NC1CCSCC1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)thian-4-amine?
The InChIKey is FZEVFARQMKPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-10-18(11-3-1)16-6-4-14(5-7-16)17-15-8-12-19-13-9-15/h4-7,15,17H,1-3,8-13H2.
What are the key properties of N-(4-piperidin-1-ylphenyl)thian-4-amine?
N-(4-piperidin-1-ylphenyl)thian-4-amine has a molecular weight of 276.45 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)thian-4-amine is sourced from PubChem (CID 43715688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).