8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol

C14H17NS — CID 22868671

IUPAC8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol
SMILESCC[C@@H](C)Nc1cccc2cccc(S)c12
InChIInChI=1S/C14H17NS/c1-3-10(2)15-12-8-4-6-11-7-5-9-13(16)14(11)12/h4-10,15-16H,3H2,1-2H3/t10-/m1/s1
InChIKeyRMRWGYVZDXOMFQ-SNVBAGLBSA-N
MW231.36 g/mol
LogP4.34
Rot. Bonds3

About 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol

8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol (PubChem CID 22868671) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol.

Molecular Properties

Compound Name8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol
PubChem CID22868671
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol
SMILESCC[C@@H](C)Nc1cccc2cccc(S)c12
InChIInChI=1S/C14H17NS/c1-3-10(2)15-12-8-4-6-11-7-5-9-13(16)14(11)12/h4-10,15-16H,3H2,1-2H3/t10-/m1/s1
InChIKeyRMRWGYVZDXOMFQ-SNVBAGLBSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol?
The IUPAC name of 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol (CID 22868671) is 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol.
What is the SMILES notation for 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol?
The canonical SMILES for 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol is CC[C@@H](C)Nc1cccc2cccc(S)c12.
What is the InChIKey of 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol?
The InChIKey is RMRWGYVZDXOMFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-10(2)15-12-8-4-6-11-7-5-9-13(16)14(11)12/h4-10,15-16H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol?
8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol has a molecular weight of 231.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol is sourced from PubChem (CID 22868671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).