(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide

C10H23N3O2S — CID 82756379

IUPAC(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C10H23N3O2S/c1-4-5-7-12(3)16(14,15)13-8-6-11-9-10(13)2/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyQNSBWOQDHBVARH-SNVBAGLBSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds5

About (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide

(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide (PubChem CID 82756379) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide
PubChem CID82756379
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C10H23N3O2S/c1-4-5-7-12(3)16(14,15)13-8-6-11-9-10(13)2/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyQNSBWOQDHBVARH-SNVBAGLBSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N,N-bis(2-methoxyethyl)-2-methylpiperazine-1-sulfonamide
CID 119970143
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
2-methyl-1-(2-methylbutylsulfonyl)piperazine
CID 119970041
1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
CID 103828936
N-[butyl(methyl)sulfamoyl]-N-methylpiperidin-3-amine
CID 63644066
2-[(2S)-2-methylpiperazin-1-yl]sulfonylbutanenitrile
CID 82755361
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide?
The IUPAC name of (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide (CID 82756379) is (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide?
The InChIKey is QNSBWOQDHBVARH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-5-7-12(3)16(14,15)13-8-6-11-9-10(13)2/h10-11H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide?
(2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-N,2-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 82756379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).