5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine

C16H32N2S — CID 79955873

IUPAC5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
SMILESCC1CCN(CCCNC2CSCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2S/c1-14-5-9-18(10-6-14)8-4-7-17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFELUSPNWUYVOLI-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds5

About 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine

5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine (PubChem CID 79955873) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
PubChem CID79955873
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
SMILESCC1CCN(CCCNC2CSCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2S/c1-14-5-9-18(10-6-14)8-4-7-17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFELUSPNWUYVOLI-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.23
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-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060
1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine
CID 79958793
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
CID 106334525
5,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thian-3-amine
CID 79958732
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
1-[3-(1,4-dithiepan-6-ylamino)propyl]piperidine-4-carboxamide
CID 122569116
3-[(5,5-dimethylthian-3-yl)amino]-N-methylpropanamide
CID 79958079
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
CID 113259931

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine (CID 79955873) is 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine is CC1CCN(CCCNC2CSCC(C)(C)C2)CC1.
What is the InChIKey of 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine?
The InChIKey is FELUSPNWUYVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14-5-9-18(10-6-14)8-4-7-17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine?
5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine is sourced from PubChem (CID 79955873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).