(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide

C9H21N3O2S — CID 104976646

IUPAC(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C9H21N3O2S/c1-8(2)11(4)15(13,14)12-6-5-10-9(3)7-12/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyIZKHOEPIZRIGMI-VIFPVBQESA-N
MW235.35 g/mol
LogP-0.13
Rot. Bonds3

About (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide

(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 104976646) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID104976646
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C9H21N3O2S/c1-8(2)11(4)15(13,14)12-6-5-10-9(3)7-12/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyIZKHOEPIZRIGMI-VIFPVBQESA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
CID 119981830
N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
CID 130645144
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 106672575
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide (CID 104976646) is (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is IZKHOEPIZRIGMI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)11(4)15(13,14)12-6-5-10-9(3)7-12/h8-10H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide?
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 104976646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).