(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid

C10H21NO3S — CID 67464984

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid
SMILESCC1CCC(C(C)C)C(NS(=O)(=O)O)C1
InChIInChI=1S/C10H21NO3S/c1-7(2)9-5-4-8(3)6-10(9)11-15(12,13)14/h7-11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyREUPSKDZTHWLND-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.84
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid

(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid (PubChem CID 67464984) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid
PubChem CID67464984
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid
SMILESCC1CCC(C(C)C)C(NS(=O)(=O)O)C1
InChIInChI=1S/C10H21NO3S/c1-7(2)9-5-4-8(3)6-10(9)11-15(12,13)14/h7-11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyREUPSKDZTHWLND-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid (CID 67464984) is (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid is CC1CCC(C(C)C)C(NS(=O)(=O)O)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid?
The InChIKey is REUPSKDZTHWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(2)9-5-4-8(3)6-10(9)11-15(12,13)14/h7-11H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid?
(5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid has a molecular weight of 235.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)sulfamic acid is sourced from PubChem (CID 67464984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).