2-methyl-4-sulfanyloxybutan-2-amine

C5H13NOS — CID 137458968

IUPAC2-methyl-4-sulfanyloxybutan-2-amine
SMILESCC(C)(N)CCOS
InChIInChI=1S/C5H13NOS/c1-5(2,6)3-4-7-8/h8H,3-4,6H2,1-2H3
InChIKeyMHQPTOMAFYOWQO-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.98
Rot. Bonds3

About 2-methyl-4-sulfanyloxybutan-2-amine

2-methyl-4-sulfanyloxybutan-2-amine (PubChem CID 137458968) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-methyl-4-sulfanyloxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-sulfanyloxybutan-2-amine
PubChem CID137458968
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-methyl-4-sulfanyloxybutan-2-amine
SMILESCC(C)(N)CCOS
InChIInChI=1S/C5H13NOS/c1-5(2,6)3-4-7-8/h8H,3-4,6H2,1-2H3
InChIKeyMHQPTOMAFYOWQO-UHFFFAOYSA-N
XLogP0.98
TPSA35.25 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-sulfanyloxybutane
CID 140639628
4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine
CID 122680171
6-methoxy-2-methylhexan-2-amine
CID 94975413
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490
3-amino-3-methylbutan-1-ol
CID 641000
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
CID 142600828
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid
CID 146581912
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
(3-amino-3-methylbutyl) decyl sulfate
CID 176611633
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-sulfanyloxybutan-2-amine?
The IUPAC name of 2-methyl-4-sulfanyloxybutan-2-amine (CID 137458968) is 2-methyl-4-sulfanyloxybutan-2-amine.
What is the SMILES notation for 2-methyl-4-sulfanyloxybutan-2-amine?
The canonical SMILES for 2-methyl-4-sulfanyloxybutan-2-amine is CC(C)(N)CCOS.
What is the InChIKey of 2-methyl-4-sulfanyloxybutan-2-amine?
The InChIKey is MHQPTOMAFYOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2,6)3-4-7-8/h8H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-4-sulfanyloxybutan-2-amine?
2-methyl-4-sulfanyloxybutan-2-amine has a molecular weight of 135.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-sulfanyloxybutan-2-amine is sourced from PubChem (CID 137458968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).