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

C10H20N2S — CID 96996203

IUPAC(3R)-3-methyl-1-[(3R)-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-/m1/s1
InChIKeySXQGTRVVSXZJJQ-NXEZZACHSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds1

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

(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine (PubChem CID 96996203) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine
PubChem CID96996203
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(3R)-3-methyl-1-[(3R)-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-/m1/s1
InChIKeySXQGTRVVSXZJJQ-NXEZZACHSA-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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Related Compounds

(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-cyclopropyl-3-methylpiperazine
CID 64926788
(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749
1-(thian-3-yl)-1,4-diazepane
CID 62873473
3-tert-butyl-1-(thiolan-3-yl)piperazine
CID 103065002
1-(thian-3-yl)piperidin-3-ol
CID 83831950
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine (CID 96996203) is (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine is C[C@@H]1CN([C@@H]2CCCSC2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine?
The InChIKey is SXQGTRVVSXZJJQ-NXEZZACHSA-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-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine?
(3R)-3-methyl-1-[(3R)-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 (3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine is sourced from PubChem (CID 96996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).