(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine

C9H15N3O2S — CID 104975048

IUPAC(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2cc[nH]c2)CCN1
InChIInChI=1S/C9H15N3O2S/c1-8-7-12(5-4-11-8)15(13,14)9-2-3-10-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyYKZJJZHIIHOSQW-MRVPVSSYSA-N
MW229.30 g/mol
LogP-0.00
Rot. Bonds2

About (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine

(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine (PubChem CID 104975048) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
PubChem CID104975048
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2cc[nH]c2)CCN1
InChIInChI=1S/C9H15N3O2S/c1-8-7-12(5-4-11-8)15(13,14)9-2-3-10-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyYKZJJZHIIHOSQW-MRVPVSSYSA-N
XLogP-0.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine (CID 104975048) is (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine is C[C@@H]1CN(S(=O)(=O)c2cc[nH]c2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The InChIKey is YKZJJZHIIHOSQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-7-12(5-4-11-8)15(13,14)9-2-3-10-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine has a molecular weight of 229.30 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine is sourced from PubChem (CID 104975048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).