2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol

C9H20N2S — CID 144828497

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol
SMILESCC(C)C(S)N1CCN(C)CC1
InChIInChI=1S/C9H20N2S/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8-9,12H,4-7H2,1-3H3
InChIKeyNQIJNFSDCXMKAP-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol

2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol (PubChem CID 144828497) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol
PubChem CID144828497
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol
SMILESCC(C)C(S)N1CCN(C)CC1
InChIInChI=1S/C9H20N2S/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8-9,12H,4-7H2,1-3H3
InChIKeyNQIJNFSDCXMKAP-UHFFFAOYSA-N
XLogP1.15
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-[4-(2-methyl-2-sulfanylpropyl)piperazin-1-yl]propane-2-thiol
CID 15719170
2-(4-Methyl-N-piperazinyl)ethanethiol
CID 10344862
1-[(3S)-4-(2-methylpropyl)-3-(trifluoromethyl)piperazin-1-yl]ethanethiol
CID 176558261
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propane-1-thiol
CID 80025335
2-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]butane-1-thiol
CID 80025697
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propane-1-thiol
CID 80025698
1-(2-Mercaptopropyl)-4-methylpiperazine
CID 13049112
3-(4-Methylpiperazin-1-YL)propane-1-thiol
CID 13474085
2-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)ethanethiol
CID 13851860
(1,4-Dimethylpiperazin-2-yl)methanethiol
CID 15318058
2-(1,4-Dimethylpiperazin-1-ium-1-yl)ethanethiol
CID 20203365
2-Methyl-3-[4-(2-methyl-3-sulfanylpropyl)piperazin-1-yl]propane-1-thiol
CID 20491568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol (CID 144828497) is 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol is CC(C)C(S)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol?
The InChIKey is NQIJNFSDCXMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol?
2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol has a molecular weight of 188.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propane-1-thiol is sourced from PubChem (CID 144828497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).