3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide

C10H19F3N2O2S — CID 112740829

IUPAC3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide
SMILESC=CCC(C)NC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-5-6-8(2)14-9(10(11,12)13)7-18(16,17)15(3)4/h5,8-9,14H,1,6-7H2,2-4H3
InChIKeyXRBIBJJZMLOYRS-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.36
Rot. Bonds7

About 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide

3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide (PubChem CID 112740829) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide
PubChem CID112740829
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide
SMILESC=CCC(C)NC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-5-6-8(2)14-9(10(11,12)13)7-18(16,17)15(3)4/h5,8-9,14H,1,6-7H2,2-4H3
InChIKeyXRBIBJJZMLOYRS-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(trifluoromethylsulfonyl)azanide;hepta-1,6-dien-4-yl(propyl)azanium
CID 140237961
Bis(trifluoromethylsulfonyl)azanide;hepta-1,6-dien-4-yl(propan-2-yl)azanium
CID 140237965
(Z)-but-2-ene;2,2-difluoro-3-[[(E)-hex-4-en-2-yl]amino]propane-1-sulfinic acid;ethane
CID 143236213
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide
CID 120778572
2,2-difluoro-3-[[(E)-hex-4-en-2-yl]amino]propane-1-sulfinic acid
CID 143236214
N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide
CID 154779652
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
CID 140863709
(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide
CID 169177275
3-(propan-2-ylamino)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 54973728
3-(propan-2-ylamino)-N-prop-2-enylpropane-1-sulfonamide
CID 61545275
1-(propan-2-ylamino)-N,N-bis(prop-2-enyl)propane-2-sulfonamide
CID 65734945
N-[3-(propan-2-ylamino)propyl]prop-2-ene-1-sulfonamide
CID 79673302

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide (CID 112740829) is 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide is C=CCC(C)NC(CS(=O)(=O)N(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide?
The InChIKey is XRBIBJJZMLOYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-5-6-8(2)14-9(10(11,12)13)7-18(16,17)15(3)4/h5,8-9,14H,1,6-7H2,2-4H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide?
3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 112740829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).