azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium

C15H32N3O6S+ — CID 174782093

IUPACazane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C(=O)OS(=O)(=O)OC.N
InChIInChI=1S/C10H20N2O.C5H8O5S.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)5(6)10-11(7,8)9-3;/h1,6-8H2,2-5H3;1H2,2-3H3;1H3/p+1
InChIKeyIGWCOFJPHYCCPV-UHFFFAOYSA-O
MW382.50 g/mol
LogP0.93
Rot. Bonds8

About azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium

azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 174782093) has the molecular formula C15H32N3O6S+ and a molecular weight of 382.50 g/mol. Its IUPAC name is azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nameazane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID174782093
Molecular FormulaC15H32N3O6S+
Molecular Weight382.50 g/mol
Exact Mass382.20
IUPAC Nameazane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C(=O)OS(=O)(=O)OC.N
InChIInChI=1S/C10H20N2O.C5H8O5S.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)5(6)10-11(7,8)9-3;/h1,6-8H2,2-5H3;1H2,2-3H3;1H3/p+1
InChIKeyIGWCOFJPHYCCPV-UHFFFAOYSA-O
XLogP0.93
TPSA133.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium with MolForge

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Related Compounds

trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
3-trimethoxysilylpropane-1-thiol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 169430479
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 118388929
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]ethanesulfonate
CID 118856655
3-[4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butylsulfonyloxysulfonyl]propyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 146236857
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659

Frequently Asked Questions

What is the IUPAC name of azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (CID 174782093) is azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C(=O)OS(=O)(=O)OC.N.
What is the InChIKey of azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is IGWCOFJPHYCCPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O.C5H8O5S.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)5(6)10-11(7,8)9-3;/h1,6-8H2,2-5H3;1H2,2-3H3;1H3/p+1.
What are the key properties of azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 382.50 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 174782093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).