3-methyl-N-propan-2-ylpiperazine-1-sulfonamide

C8H19N3O2S — CID 114810913

IUPAC3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C8H19N3O2S/c1-7(2)10-14(12,13)11-5-4-9-8(3)6-11/h7-10H,4-6H2,1-3H3
InChIKeyNBFHCHAEZZCRRF-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.48
Rot. Bonds3

About 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide

3-methyl-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 114810913) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID114810913
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C8H19N3O2S/c1-7(2)10-14(12,13)11-5-4-9-8(3)6-11/h7-10H,4-6H2,1-3H3
InChIKeyNBFHCHAEZZCRRF-UHFFFAOYSA-N
XLogP-0.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 104978207
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
2-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110631373
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide (CID 114810913) is 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCNC(C)C1.
What is the InChIKey of 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is NBFHCHAEZZCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7(2)10-14(12,13)11-5-4-9-8(3)6-11/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 114810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).