trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium

C10H23N2O4S+ — CID 3097426

IUPACtrimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium
SMILESCC(C)(CS(=O)(=O)O)NC(=O)CC[N+](C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-10(2,8-17(14,15)16)11-9(13)6-7-12(3,4)5/h6-8H2,1-5H3,(H-,11,13,14,15,16)/p+1
InChIKeyZVIPEBRHXIIYCQ-UHFFFAOYSA-O
MW267.37 g/mol
LogP-0.13
Rot. Bonds6

About trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium

trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium (PubChem CID 3097426) has the molecular formula C10H23N2O4S+ and a molecular weight of 267.37 g/mol. Its IUPAC name is trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium
PubChem CID3097426
Molecular FormulaC10H23N2O4S+
Molecular Weight267.37 g/mol
Exact Mass267.14
IUPAC Nametrimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium
SMILESCC(C)(CS(=O)(=O)O)NC(=O)CC[N+](C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-10(2,8-17(14,15)16)11-9(13)6-7-12(3,4)5/h6-8H2,1-5H3,(H-,11,13,14,15,16)/p+1
InChIKeyZVIPEBRHXIIYCQ-UHFFFAOYSA-O
XLogP-0.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(4-methylpentanoylamino)propane-1-sulfonic acid
CID 147723036
2-methyl-2-[3-[[methyl-[[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropoxy]methyl]amino]methoxy]propanoylamino]propane-1-sulfonic acid
CID 101427005
2-(3-hexadecylsulfanylpropanoylamino)-2-methylpropane-1-sulfonic acid
CID 20764777
2-methyl-2-(3-octylsulfanylpropanoylamino)propane-1-sulfonic acid
CID 88832156
2-methyl-2-(3-octadecylsulfanylpropanoylamino)propane-1-sulfonic acid
CID 89264166
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
trimethyl-(2-methyl-1-sulfopropan-2-yl)azanium
CID 158986858
4-cyano-2-methyl-2-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]hexanoic acid
CID 23394734
potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
CID 175213008
sodium;methanolate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 175540739
2-(2-cyanoprop-2-enoylamino)-2-methylpropane-1-sulfonic acid
CID 54202940

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium?
The IUPAC name of trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium (CID 3097426) is trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium.
What is the SMILES notation for trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium?
The canonical SMILES for trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium is CC(C)(CS(=O)(=O)O)NC(=O)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium?
The InChIKey is ZVIPEBRHXIIYCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,8-17(14,15)16)11-9(13)6-7-12(3,4)5/h6-8H2,1-5H3,(H-,11,13,14,15,16)/p+1.
What are the key properties of trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium?
trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium has a molecular weight of 267.37 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]azanium is sourced from PubChem (CID 3097426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).