[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid

C10H21NO3S — CID 67462943

IUPAC[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1NS(=O)(=O)O
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)/t8-,9+,10?/m1/s1
InChIKeyREUPSKDZTHWLND-ZDGBYWQASA-N
MW235.35 g/mol
LogP1.84
Rot. Bonds3

About [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid

[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid (PubChem CID 67462943) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid.

Molecular Properties

Compound Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid
PubChem CID67462943
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1NS(=O)(=O)O
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)/t8-,9+,10?/m1/s1
InChIKeyREUPSKDZTHWLND-ZDGBYWQASA-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 [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid?
The IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid (CID 67462943) is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid.
What is the SMILES notation for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid?
The canonical SMILES for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid is CC(C)[C@@H]1CC[C@@H](C)CC1NS(=O)(=O)O.
What is the InChIKey of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid?
The InChIKey is REUPSKDZTHWLND-ZDGBYWQASA-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)/t8-,9+,10?/m1/s1.
What are the key properties of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid?
[(2S,5R)-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 [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfamic acid is sourced from PubChem (CID 67462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).