[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium

C10H19N2O3S+ — CID 146668937

IUPAC[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-5-8-12(2,3)9-6-7-10(13)11-16(4,14)15/h1H,6-9H2,2-4H3/p+1
InChIKeyFMYHRISQGBZSCP-UHFFFAOYSA-O
MW247.34 g/mol
LogP-0.45
Rot. Bonds6

About [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium

[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium (PubChem CID 146668937) has the molecular formula C10H19N2O3S+ and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium.

Molecular Properties

Compound Name[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium
PubChem CID146668937
Molecular FormulaC10H19N2O3S+
Molecular Weight247.34 g/mol
Exact Mass247.11
IUPAC Name[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-5-8-12(2,3)9-6-7-10(13)11-16(4,14)15/h1H,6-9H2,2-4H3/p+1
InChIKeyFMYHRISQGBZSCP-UHFFFAOYSA-O
XLogP-0.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl-prop-2-ynyl-(3-sulfopropyl)azanium iodide
CID 146629341
5-amino-N-methylsulfonylpentanamide
CID 103287281
3-bromo-N-methylsulfonylpropanamide
CID 22045909
dimethyl-octadecyl-prop-2-ynylazanium
CID 14625652
2-acetyloxyethyl-dimethyl-prop-2-ynylazanium
CID 546954
[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium
CID 169031165
2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate
CID 172696241
3-[dimethyl(3-oxopent-4-enyl)azaniumyl]propyl-dimethyl-(3-oxopent-4-enyl)azanium
CID 160766198
methyl-bis(prop-2-ynyl)-(2-sulfoethyl)azanium
CID 146629606
N-methylsulfonyl-4-(4-methylsulfonylphenoxy)butanamide
CID 56800043
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
32-[2-[dimethyl(prop-2-ynyl)azaniumyl]ethoxy-oxidophosphoryl]oxydotriacontyl 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl phosphate
CID 177407453

Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium?
The IUPAC name of [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium (CID 146668937) is [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium.
What is the SMILES notation for [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium?
The canonical SMILES for [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium is C#CC[N+](C)(C)CCCC(=O)NS(C)(=O)=O.
What is the InChIKey of [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium?
The InChIKey is FMYHRISQGBZSCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O3S/c1-5-8-12(2,3)9-6-7-10(13)11-16(4,14)15/h1H,6-9H2,2-4H3/p+1.
What are the key properties of [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium?
[4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium has a molecular weight of 247.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)-4-oxobutyl]-dimethyl-prop-2-ynylazanium is sourced from PubChem (CID 146668937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).