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

C17H26N2S — CID 60761750

IUPAC1-benzyl-N-(thian-4-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NC3CCSCC3)C2)cc1
InChIInChI=1S/C17H26N2S/c1-2-5-15(6-3-1)13-19-10-4-7-17(14-19)18-16-8-11-20-12-9-16/h1-3,5-6,16-18H,4,7-14H2
InChIKeyQDQGKFAKXRRHPM-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.14
Rot. Bonds4

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

1-benzyl-N-(thian-4-yl)piperidin-3-amine (PubChem CID 60761750) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-benzyl-N-(thian-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(thian-4-yl)piperidin-3-amine
PubChem CID60761750
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-benzyl-N-(thian-4-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NC3CCSCC3)C2)cc1
InChIInChI=1S/C17H26N2S/c1-2-5-15(6-3-1)13-19-10-4-7-17(14-19)18-16-8-11-20-12-9-16/h1-3,5-6,16-18H,4,7-14H2
InChIKeyQDQGKFAKXRRHPM-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(3,4-dihydro-1H-isothiochromen-4-yl)piperidin-3-amine
CID 113239317
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795
N-(1,4-dithiepan-6-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 122555983
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(thian-4-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(thian-4-yl)piperidin-3-amine (CID 60761750) is 1-benzyl-N-(thian-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(thian-4-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(thian-4-yl)piperidin-3-amine is c1ccc(CN2CCCC(NC3CCSCC3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(thian-4-yl)piperidin-3-amine?
The InChIKey is QDQGKFAKXRRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-5-15(6-3-1)13-19-10-4-7-17(14-19)18-16-8-11-20-12-9-16/h1-3,5-6,16-18H,4,7-14H2.
What are the key properties of 1-benzyl-N-(thian-4-yl)piperidin-3-amine?
1-benzyl-N-(thian-4-yl)piperidin-3-amine has a molecular weight of 290.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(thian-4-yl)piperidin-3-amine is sourced from PubChem (CID 60761750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).