azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid

C9H24N2O3S — CID 173312698

IUPACazane;2-methyl-2-(pentylamino)propane-1-sulfonic acid
SMILESCCCCCNC(C)(C)CS(=O)(=O)O.N
InChIInChI=1S/C9H21NO3S.H3N/c1-4-5-6-7-10-9(2,3)8-14(11,12)13;/h10H,4-8H2,1-3H3,(H,11,12,13);1H3
InChIKeyUHSNXPNSZXCRCV-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.59
Rot. Bonds7

About azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid

azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid (PubChem CID 173312698) has the molecular formula C9H24N2O3S and a molecular weight of 240.37 g/mol. Its IUPAC name is azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Nameazane;2-methyl-2-(pentylamino)propane-1-sulfonic acid
PubChem CID173312698
Molecular FormulaC9H24N2O3S
Molecular Weight240.37 g/mol
Exact Mass240.15
IUPAC Nameazane;2-methyl-2-(pentylamino)propane-1-sulfonic acid
SMILESCCCCCNC(C)(C)CS(=O)(=O)O.N
InChIInChI=1S/C9H21NO3S.H3N/c1-4-5-6-7-10-9(2,3)8-14(11,12)13;/h10H,4-8H2,1-3H3,(H,11,12,13);1H3
InChIKeyUHSNXPNSZXCRCV-UHFFFAOYSA-N
XLogP1.59
TPSA101.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-methyl-2-(pentylamino)propane-1-sulfonic acid
CID 173281045
2-(pentylamino)propane-2-sulfonic acid
CID 88933149
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
2-[(2-ethyl-2-methyloctanoyl)amino]-2-methylpropane-1-sulfonic acid
CID 134415224
1,1-bis(octylamino)ethanol
CID 87347011
2-(hexadecylamino)-2-methylpropan-1-ol;phosphoric acid
CID 174988177
2-methyl-2-(3-octylsulfanylpropanoylamino)propane-1-sulfonic acid
CID 88832156
2-(3-hexadecylsulfanylpropanoylamino)-2-methylpropane-1-sulfonic acid
CID 20764777
2-methyl-2-(3-octadecylsulfanylpropanoylamino)propane-1-sulfonic acid
CID 89264166
N-tert-butylnonadecan-1-amine
CID 87846739

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid?
The IUPAC name of azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid (CID 173312698) is azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid.
What is the SMILES notation for azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid?
The canonical SMILES for azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid is CCCCCNC(C)(C)CS(=O)(=O)O.N.
What is the InChIKey of azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid?
The InChIKey is UHSNXPNSZXCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S.H3N/c1-4-5-6-7-10-9(2,3)8-14(11,12)13;/h10H,4-8H2,1-3H3,(H,11,12,13);1H3.
What are the key properties of azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid?
azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid has a molecular weight of 240.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-2-(pentylamino)propane-1-sulfonic acid is sourced from PubChem (CID 173312698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).