N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide

C12H24N4O5S2 — CID 130367551

IUPACN,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide
SMILESC=CCCC(C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)S(N)(=O)=O
InChIInChI=1S/C12H24N4O5S2/c1-4-5-6-11(22(13,18)19)12(17)15-7-9-16(10-8-15)23(20,21)14(2)3/h4,11H,1,5-10H2,2-3H3,(H2,13,18,19)
InChIKeyLYJAAYAFJZOYTM-UHFFFAOYSA-N
MW368.48 g/mol
LogP-1.44
Rot. Bonds7

About N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide (PubChem CID 130367551) has the molecular formula C12H24N4O5S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide
PubChem CID130367551
Molecular FormulaC12H24N4O5S2
Molecular Weight368.48 g/mol
Exact Mass368.12
IUPAC NameN,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide
SMILESC=CCCC(C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)S(N)(=O)=O
InChIInChI=1S/C12H24N4O5S2/c1-4-5-6-11(22(13,18)19)12(17)15-7-9-16(10-8-15)23(20,21)14(2)3/h4,11H,1,5-10H2,2-3H3,(H2,13,18,19)
InChIKeyLYJAAYAFJZOYTM-UHFFFAOYSA-N
XLogP-1.44
TPSA121.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(2R)-2-sulfamoylhex-5-enoyl]piperazine-1-sulfonamide
CID 130367550
1-(4-Methylsulfonylpiperazin-1-yl)pent-4-en-1-one
CID 157835807
(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide
CID 160850063
N,N-dimethyl-4-[(2S)-2-sulfamoylhex-5-enoyl]piperazine-1-sulfonamide;N,N-dimethyl-4-[(2R)-2-sulfamoylhex-5-enoyl]piperazine-1-sulfonamide
CID 161632179
N,N-dimethyl-4-[(2S)-2-sulfamoylhex-5-enoyl]piperazine-1-sulfonamide
CID 161632180
1-But-3-enoylpiperidine-3-sulfonamide
CID 62678371
1-Pent-4-enoylpiperidine-3-sulfonamide
CID 62678372
N-[1-(2-aminopent-4-enoyl)piperidin-4-yl]ethanesulfonamide
CID 81775619
2-(4-Pent-4-enoylpiperazin-1-yl)ethanesulfonamide
CID 132380893
N-[dimethyl(oxo)-lambda6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide
CID 167750163

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide (CID 130367551) is N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide is C=CCCC(C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)S(N)(=O)=O.
What is the InChIKey of N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide?
The InChIKey is LYJAAYAFJZOYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O5S2/c1-4-5-6-11(22(13,18)19)12(17)15-7-9-16(10-8-15)23(20,21)14(2)3/h4,11H,1,5-10H2,2-3H3,(H2,13,18,19).
What are the key properties of N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide has a molecular weight of 368.48 g/mol, XLogP of -1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-sulfamoylhex-5-enoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 130367551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).