(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

C10H21ClN2O3S — CID 120875759

IUPAC(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)C2CCCOC2)CCN1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-9-7-12(5-4-11-9)16(13,14)10-3-2-6-15-8-10;/h9-11H,2-8H2,1H3;1H/t9-,10?;/m0./s1
InChIKeyPCHNKFGDZCYOBO-KKFCBZOWSA-N
MW284.81 g/mol
LogP0.21
Rot. Bonds2

About (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (PubChem CID 120875759) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
PubChem CID120875759
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)C2CCCOC2)CCN1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-9-7-12(5-4-11-9)16(13,14)10-3-2-6-15-8-10;/h9-11H,2-8H2,1H3;1H/t9-,10?;/m0./s1
InChIKeyPCHNKFGDZCYOBO-KKFCBZOWSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876580
3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875403
(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
CID 100627309
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129461062
1-cyclopropylsulfonyl-5-methyl-1,4-diazepane
CID 131187195
1-[(E)-but-2-enyl]sulfonyl-3-methylpiperazine
CID 131240629

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (CID 120875759) is (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is C[C@H]1CN(S(=O)(=O)C2CCCOC2)CCN1.Cl.
What is the InChIKey of (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is PCHNKFGDZCYOBO-KKFCBZOWSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c1-9-7-12(5-4-11-9)16(13,14)10-3-2-6-15-8-10;/h9-11H,2-8H2,1H3;1H/t9-,10?;/m0./s1.
What are the key properties of (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120875759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).