1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine

C9H20N2S — CID 155404296

IUPAC1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
SMILESCS[C@@H](C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2S/c1-9(12-3)8-11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyWJXAHKUKPSCEDT-VIFPVBQESA-N
MW188.34 g/mol
LogP0.99
Rot. Bonds3

About 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine

1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine (PubChem CID 155404296) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
PubChem CID155404296
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
SMILESCS[C@@H](C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2S/c1-9(12-3)8-11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyWJXAHKUKPSCEDT-VIFPVBQESA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
iron(6+);(2S)-1-[4-methyl-7-[(2S)-2-oxidopropyl]-1,4,7-triazonan-1-yl]propan-2-olate
CID 153461646
1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-methyl-4-(methylsulfanylmethyl)piperazine
CID 118263141
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine?
The IUPAC name of 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine (CID 155404296) is 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine is CS[C@@H](C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine?
The InChIKey is WJXAHKUKPSCEDT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(12-3)8-11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine?
1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine has a molecular weight of 188.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine is sourced from PubChem (CID 155404296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).