9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol

C15H32N2S — CID 114086760

IUPAC9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
SMILESCC1CN(C)CCN1CCCCCCCCCS
InChIInChI=1S/C15H32N2S/c1-15-14-16(2)11-12-17(15)10-8-6-4-3-5-7-9-13-18/h15,18H,3-14H2,1-2H3
InChIKeyMDNQMPCWHUDKFR-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.28
Rot. Bonds9

About 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol

9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol (PubChem CID 114086760) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol.

Molecular Properties

Compound Name9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
PubChem CID114086760
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
SMILESCC1CN(C)CCN1CCCCCCCCCS
InChIInChI=1S/C15H32N2S/c1-15-14-16(2)11-12-17(15)10-8-6-4-3-5-7-9-13-18/h15,18H,3-14H2,1-2H3
InChIKeyMDNQMPCWHUDKFR-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.28
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

2-(1-Methylpiperidin-2-yl)ethane-1-thiol
CID 13452609
2,6-Dimethyl-1-(2'-mercaptoethyl)-piperidine
CID 19607260
2-(2-Ethylpiperidin-1-yl)ethanethiol
CID 19607261
1-Octyl-4-propan-2-ylpiperazine
CID 22218560
1-Piperidin-1-yloctane-4-thiol
CID 23362337
3-Piperidin-1-ylhexane-1-thiol
CID 23362364
3-Piperidin-1-ylheptane-1-thiol
CID 23362392
4-Piperidin-1-yloctane-1-thiol
CID 23362410
4-Piperidin-1-ylheptane-1-thiol
CID 23362441
4-Piperidin-1-ylhexane-1-thiol
CID 23362533
3-(2-Methylpiperidin-1-yl)propane-1-thiol
CID 80017458
5-(4-Ethylpiperazin-1-yl)pentane-1-thiol
CID 80018480

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol?
The IUPAC name of 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol (CID 114086760) is 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol.
What is the SMILES notation for 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol?
The canonical SMILES for 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol is CC1CN(C)CCN1CCCCCCCCCS.
What is the InChIKey of 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol?
The InChIKey is MDNQMPCWHUDKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-15-14-16(2)11-12-17(15)10-8-6-4-3-5-7-9-13-18/h15,18H,3-14H2,1-2H3.
What are the key properties of 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol?
9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol has a molecular weight of 272.50 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol is sourced from PubChem (CID 114086760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).