N-hydroxysulfanyl-2-methylbutan-2-amine

C5H13NOS — CID 89110481

IUPACN-hydroxysulfanyl-2-methylbutan-2-amine
SMILESCCC(C)(C)NSO
InChIInChI=1S/C5H13NOS/c1-4-5(2,3)6-8-7/h6-7H,4H2,1-3H3
InChIKeyXBKMJHUNWQNRQA-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.89
Rot. Bonds3

About N-hydroxysulfanyl-2-methylbutan-2-amine

N-hydroxysulfanyl-2-methylbutan-2-amine (PubChem CID 89110481) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-hydroxysulfanyl-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-hydroxysulfanyl-2-methylbutan-2-amine
PubChem CID89110481
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-hydroxysulfanyl-2-methylbutan-2-amine
SMILESCCC(C)(C)NSO
InChIInChI=1S/C5H13NOS/c1-4-5(2,3)6-8-7/h6-7H,4H2,1-3H3
InChIKeyXBKMJHUNWQNRQA-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanyl-2-methylbutan-2-amine?
The IUPAC name of N-hydroxysulfanyl-2-methylbutan-2-amine (CID 89110481) is N-hydroxysulfanyl-2-methylbutan-2-amine.
What is the SMILES notation for N-hydroxysulfanyl-2-methylbutan-2-amine?
The canonical SMILES for N-hydroxysulfanyl-2-methylbutan-2-amine is CCC(C)(C)NSO.
What is the InChIKey of N-hydroxysulfanyl-2-methylbutan-2-amine?
The InChIKey is XBKMJHUNWQNRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4-5(2,3)6-8-7/h6-7H,4H2,1-3H3.
What are the key properties of N-hydroxysulfanyl-2-methylbutan-2-amine?
N-hydroxysulfanyl-2-methylbutan-2-amine has a molecular weight of 135.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanyl-2-methylbutan-2-amine is sourced from PubChem (CID 89110481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).