di(butan-2-yl)sulfamic acid

C8H19NO3S — CID 156663387

IUPACdi(butan-2-yl)sulfamic acid
SMILESCCC(C)N(C(C)CC)S(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-5-7(3)9(8(4)6-2)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12)
InChIKeyREFGDSWASHJFOW-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.69
Rot. Bonds5

About di(butan-2-yl)sulfamic acid

di(butan-2-yl)sulfamic acid (PubChem CID 156663387) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is di(butan-2-yl)sulfamic acid.

Molecular Properties

Compound Namedi(butan-2-yl)sulfamic acid
PubChem CID156663387
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Namedi(butan-2-yl)sulfamic acid
SMILESCCC(C)N(C(C)CC)S(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-5-7(3)9(8(4)6-2)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12)
InChIKeyREFGDSWASHJFOW-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentan-3-yl(propan-2-yl)sulfamic acid
CID 156663474
1-chloroethyl(1-chloropropyl)sulfamic acid
CID 57052891
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
(2R)-butane-2-sulfonic acid
CID 46398806
2-[butan-2-yl(methyl)amino]ethanesulfonic acid
CID 170225415
bis(1,3-dihydroxypropan-2-yl)sulfamic acid
CID 20512880
butan-2-ol;sulfurothioic O-acid
CID 175241517
CID 87069248
CID 87069248
sulfuric acid;tetramethylphosphanium
CID 87132357
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
7-[di(butan-2-yl)sulfamoyl]-9-oxofluorene-2-sulfonic acid
CID 21156524

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)sulfamic acid?
The IUPAC name of di(butan-2-yl)sulfamic acid (CID 156663387) is di(butan-2-yl)sulfamic acid.
What is the SMILES notation for di(butan-2-yl)sulfamic acid?
The canonical SMILES for di(butan-2-yl)sulfamic acid is CCC(C)N(C(C)CC)S(=O)(=O)O.
What is the InChIKey of di(butan-2-yl)sulfamic acid?
The InChIKey is REFGDSWASHJFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-5-7(3)9(8(4)6-2)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12).
What are the key properties of di(butan-2-yl)sulfamic acid?
di(butan-2-yl)sulfamic acid has a molecular weight of 209.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)sulfamic acid is sourced from PubChem (CID 156663387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).