(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol

C9H19NOS — CID 169031289

IUPAC(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol
SMILESCC(C)S[C@@H]1CC[C@@H](N)C[C@H]1O
InChIInChI=1S/C9H19NOS/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyLZIKVCDUHQUBSG-IWSPIJDZSA-N
MW189.32 g/mol
LogP1.37
Rot. Bonds2

About (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol

(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol (PubChem CID 169031289) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol
PubChem CID169031289
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol
SMILESCC(C)S[C@@H]1CC[C@@H](N)C[C@H]1O
InChIInChI=1S/C9H19NOS/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyLZIKVCDUHQUBSG-IWSPIJDZSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol (CID 169031289) is (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol is CC(C)S[C@@H]1CC[C@@H](N)C[C@H]1O.
What is the InChIKey of (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol?
The InChIKey is LZIKVCDUHQUBSG-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H19NOS/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol?
(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 169031289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).