(3-methylcyclopentyl)sulfamic acid

C6H13NO3S — CID 19748602

IUPAC(3-methylcyclopentyl)sulfamic acid
SMILESCC1CCC(NS(=O)(=O)O)C1
InChIInChI=1S/C6H13NO3S/c1-5-2-3-6(4-5)7-11(8,9)10/h5-7H,2-4H2,1H3,(H,8,9,10)
InChIKeyWYFBGNZNBXZXLP-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.57
Rot. Bonds2

About (3-methylcyclopentyl)sulfamic acid

(3-methylcyclopentyl)sulfamic acid (PubChem CID 19748602) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3-methylcyclopentyl)sulfamic acid.

Molecular Properties

Compound Name(3-methylcyclopentyl)sulfamic acid
PubChem CID19748602
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3-methylcyclopentyl)sulfamic acid
SMILESCC1CCC(NS(=O)(=O)O)C1
InChIInChI=1S/C6H13NO3S/c1-5-2-3-6(4-5)7-11(8,9)10/h5-7H,2-4H2,1H3,(H,8,9,10)
InChIKeyWYFBGNZNBXZXLP-UHFFFAOYSA-N
XLogP0.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium bis(N-(3-methylcyclopentyl)sulfamate)
CID 162097644
CID 67466393
CID 67466393
2,2-dimethyl-N-(3-methylcyclopentyl)propane-1-sulfonamide
CID 114545288
cyclopentylsulfamic acid
CID 21123026
N-(3-methylcyclopentyl)piperazine-1-sulfonamide
CID 114541483
cyclononylsulfamic acid
CID 67135870
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
2-methyl-N-(3-methylcyclopentyl)-1,3-thiazole-5-sulfonamide
CID 105058414
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
CID 68761393
CID 68761393

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)sulfamic acid?
The IUPAC name of (3-methylcyclopentyl)sulfamic acid (CID 19748602) is (3-methylcyclopentyl)sulfamic acid.
What is the SMILES notation for (3-methylcyclopentyl)sulfamic acid?
The canonical SMILES for (3-methylcyclopentyl)sulfamic acid is CC1CCC(NS(=O)(=O)O)C1.
What is the InChIKey of (3-methylcyclopentyl)sulfamic acid?
The InChIKey is WYFBGNZNBXZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5-2-3-6(4-5)7-11(8,9)10/h5-7H,2-4H2,1H3,(H,8,9,10).
What are the key properties of (3-methylcyclopentyl)sulfamic acid?
(3-methylcyclopentyl)sulfamic acid has a molecular weight of 179.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)sulfamic acid is sourced from PubChem (CID 19748602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).