9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol

C16H34N2S — CID 105343956

IUPAC9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
SMILESCN1CCCC(N(C)CCCCCCCCCS)C1
InChIInChI=1S/C16H34N2S/c1-17-12-10-11-16(15-17)18(2)13-8-6-4-3-5-7-9-14-19/h16,19H,3-15H2,1-2H3
InChIKeyMFTLZWQFWJPHCY-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.67
Rot. Bonds10

About 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol

9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol (PubChem CID 105343956) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
PubChem CID105343956
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
SMILESCN1CCCC(N(C)CCCCCCCCCS)C1
InChIInChI=1S/C16H34N2S/c1-17-12-10-11-16(15-17)18(2)13-8-6-4-3-5-7-9-14-19/h16,19H,3-15H2,1-2H3
InChIKeyMFTLZWQFWJPHCY-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673

Frequently Asked Questions

What is the IUPAC name of 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol?
The IUPAC name of 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol (CID 105343956) is 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol?
The canonical SMILES for 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol is CN1CCCC(N(C)CCCCCCCCCS)C1.
What is the InChIKey of 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol?
The InChIKey is MFTLZWQFWJPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-17-12-10-11-16(15-17)18(2)13-8-6-4-3-5-7-9-14-19/h16,19H,3-15H2,1-2H3.
What are the key properties of 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol?
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol has a molecular weight of 286.53 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol is sourced from PubChem (CID 105343956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).