N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide

C9H17N3O3S — CID 60949795

IUPACN,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
SMILESC=CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H17N3O3S/c1-4-9(13)11-5-7-12(8-6-11)16(14,15)10(2)3/h4H,1,5-8H2,2-3H3
InChIKeySJPBTFHGUJKCFU-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.88
Rot. Bonds3

About N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide

N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide (PubChem CID 60949795) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
PubChem CID60949795
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
SMILESC=CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H17N3O3S/c1-4-9(13)11-5-7-12(8-6-11)16(14,15)10(2)3/h4H,1,5-8H2,2-3H3
InChIKeySJPBTFHGUJKCFU-UHFFFAOYSA-N
XLogP-0.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
CID 60949594
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide
CID 130367551
4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006279
2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586808
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide
CID 103808750
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
CID 70414233
N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
CID 110811938
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide (CID 60949795) is N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide is C=CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide?
The InChIKey is SJPBTFHGUJKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-4-9(13)11-5-7-12(8-6-11)16(14,15)10(2)3/h4H,1,5-8H2,2-3H3.
What are the key properties of N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide?
N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide is sourced from PubChem (CID 60949795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).