dimethylsulfamic acid;heptadecane

C19H43NO3S — CID 173271446

IUPACdimethylsulfamic acid;heptadecane
SMILESCCCCCCCCCCCCCCCCC.CN(C)S(=O)(=O)O
InChIInChI=1S/C17H36.C2H7NO3S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3(2)7(4,5)6/h3-17H2,1-2H3;1-2H3,(H,4,5,6)
InChIKeyNIKMQBOJROXNOO-UHFFFAOYSA-N
MW365.62 g/mol
LogP6.23
Rot. Bonds15

About dimethylsulfamic acid;heptadecane

dimethylsulfamic acid;heptadecane (PubChem CID 173271446) has the molecular formula C19H43NO3S and a molecular weight of 365.62 g/mol. Its IUPAC name is dimethylsulfamic acid;heptadecane.

Molecular Properties

Compound Namedimethylsulfamic acid;heptadecane
PubChem CID173271446
Molecular FormulaC19H43NO3S
Molecular Weight365.62 g/mol
Exact Mass365.30
IUPAC Namedimethylsulfamic acid;heptadecane
SMILESCCCCCCCCCCCCCCCCC.CN(C)S(=O)(=O)O
InChIInChI=1S/C17H36.C2H7NO3S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3(2)7(4,5)6/h3-17H2,1-2H3;1-2H3,(H,4,5,6)
InChIKeyNIKMQBOJROXNOO-UHFFFAOYSA-N
XLogP6.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.62
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of dimethylsulfamic acid;heptadecane?
The IUPAC name of dimethylsulfamic acid;heptadecane (CID 173271446) is dimethylsulfamic acid;heptadecane.
What is the SMILES notation for dimethylsulfamic acid;heptadecane?
The canonical SMILES for dimethylsulfamic acid;heptadecane is CCCCCCCCCCCCCCCCC.CN(C)S(=O)(=O)O.
What is the InChIKey of dimethylsulfamic acid;heptadecane?
The InChIKey is NIKMQBOJROXNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C2H7NO3S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3(2)7(4,5)6/h3-17H2,1-2H3;1-2H3,(H,4,5,6).
What are the key properties of dimethylsulfamic acid;heptadecane?
dimethylsulfamic acid;heptadecane has a molecular weight of 365.62 g/mol, XLogP of 6.23, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfamic acid;heptadecane is sourced from PubChem (CID 173271446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).