(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine

C10H20N2S — CID 124834800

IUPAC(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
SMILESC[C@H]1CN([C@H]2CCCSC2)CCN1
InChIInChI=1S/C10H20N2S/c1-9-7-12(5-4-11-9)10-3-2-6-13-8-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeySXQGTRVVSXZJJQ-UWVGGRQHSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds1

About (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine

(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine (PubChem CID 124834800) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
PubChem CID124834800
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
SMILESC[C@H]1CN([C@H]2CCCSC2)CCN1
InChIInChI=1S/C10H20N2S/c1-9-7-12(5-4-11-9)10-3-2-6-13-8-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeySXQGTRVVSXZJJQ-UWVGGRQHSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine (CID 124834800) is (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine is C[C@H]1CN([C@H]2CCCSC2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine?
The InChIKey is SXQGTRVVSXZJJQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9-7-12(5-4-11-9)10-3-2-6-13-8-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine?
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine is sourced from PubChem (CID 124834800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).