2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine

C14H28N2S — CID 79956996

IUPAC2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
SMILESCC1SCCCC1NCCCN1CCCCC1
InChIInChI=1S/C14H28N2S/c1-13-14(7-5-12-17-13)15-8-6-11-16-9-3-2-4-10-16/h13-15H,2-12H2,1H3
InChIKeyQAEDLVKGJTYFAF-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.74
Rot. Bonds5

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

2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine (PubChem CID 79956996) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
PubChem CID79956996
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
SMILESCC1SCCCC1NCCCN1CCCCC1
InChIInChI=1S/C14H28N2S/c1-13-14(7-5-12-17-13)15-8-6-11-16-9-3-2-4-10-16/h13-15H,2-12H2,1H3
InChIKeyQAEDLVKGJTYFAF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
CID 175787085
2-methyl-N-octylthian-3-amine
CID 115567011
N'-(2-methylthian-3-yl)butane-1,4-diamine
CID 79957665
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293
N-but-3-ynyl-2-methylthian-3-amine
CID 79957686
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
CID 79957320
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 43181783
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine?
The IUPAC name of 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine (CID 79956996) is 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine?
The canonical SMILES for 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine is CC1SCCCC1NCCCN1CCCCC1.
What is the InChIKey of 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine?
The InChIKey is QAEDLVKGJTYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13-14(7-5-12-17-13)15-8-6-11-16-9-3-2-4-10-16/h13-15H,2-12H2,1H3.
What are the key properties of 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine?
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine is sourced from PubChem (CID 79956996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).