(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine

C10H16N2S — CID 82755314

IUPAC(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1ccsc1
InChIInChI=1S/C10H16N2S/c1-9-6-11-3-4-12(9)7-10-2-5-13-8-10/h2,5,8-9,11H,3-4,6-7H2,1H3/t9-/m0/s1
InChIKeyZJEUEVHNFYVACC-VIFPVBQESA-N
MW196.32 g/mol
LogP1.54
Rot. Bonds2

About (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine

(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 82755314) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID82755314
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1ccsc1
InChIInChI=1S/C10H16N2S/c1-9-6-11-3-4-12(9)7-10-2-5-13-8-10/h2,5,8-9,11H,3-4,6-7H2,1H3/t9-/m0/s1
InChIKeyZJEUEVHNFYVACC-VIFPVBQESA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
CID 64833156
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837048
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine (CID 82755314) is (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine is C[C@H]1CNCCN1Cc1ccsc1.
What is the InChIKey of (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is ZJEUEVHNFYVACC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2S/c1-9-6-11-3-4-12(9)7-10-2-5-13-8-10/h2,5,8-9,11H,3-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 196.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 82755314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).