N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine

C5H13NO2S — CID 90962851

IUPACN-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine
SMILESC=S(=O)(O)NCC(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyQMGNVSVXKBAUSM-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.34
Rot. Bonds3

About N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine

N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine (PubChem CID 90962851) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine
PubChem CID90962851
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine
SMILESC=S(=O)(O)NCC(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyQMGNVSVXKBAUSM-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)methanesulfonamide
CID 4547916
N-(hydroxy-oxo-propylidene-lambda6-sulfanyl)propan-1-amine
CID 56611451
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)propan-1-amine
CID 56612290
N-(ethylidene-hydroxy-oxo-lambda6-sulfanyl)propan-1-amine
CID 56612901
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)ethanamine
CID 56626855
N-(hydroxy-oxo-propylidene-lambda6-sulfanyl)ethanamine
CID 56635457
N-(ethylidene-hydroxy-oxo-lambda6-sulfanyl)ethanamine
CID 56635814
N-[hydroxy-(2-methylpropylidene)-oxo-lambda6-sulfanyl]ethanamine
CID 56995752
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)butan-1-amine
CID 57043387
N-(butan-2-ylidene-hydroxy-oxo-lambda6-sulfanyl)ethanamine
CID 57148538
N-(hydroxy-oxo-propan-2-ylidene-lambda6-sulfanyl)ethanamine
CID 57210763
N-[hydroxy-(2-methylpropylidene)-oxo-lambda6-sulfanyl]methanamine
CID 57317633

Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine?
The IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine (CID 90962851) is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine is C=S(=O)(O)NCC(C)C.
What is the InChIKey of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine?
The InChIKey is QMGNVSVXKBAUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine?
N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine has a molecular weight of 151.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 90962851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).