N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine

C5H13NO2S — CID 56612901

IUPACN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine
SMILESCC=S(=O)(O)NCCC
InChIInChI=1S/C5H13NO2S/c1-3-5-6-9(7,8)4-2/h4H,3,5H2,1-2H3,(H2,6,7,8)
InChIKeyOLNOLAXWORTBPN-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.48
Rot. Bonds3

About N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine

N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine (PubChem CID 56612901) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine
PubChem CID56612901
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine
SMILESCC=S(=O)(O)NCCC
InChIInChI=1S/C5H13NO2S/c1-3-5-6-9(7,8)4-2/h4H,3,5H2,1-2H3,(H2,6,7,8)
InChIKeyOLNOLAXWORTBPN-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Methyl-2-aminoethanesulfonic acid
CID 12093848
1-Aminobutane-2-sulfonic acid
CID 18930800
4-Amino-2-butanesulfonic acid
CID 20504848
N-propylethanesulfonamide
CID 4449058
N-ethyl-1-propanesulfonamide
CID 13343580
N-ethylbutane-1-sulfonamide
CID 13343582
N-ethylbutane-2-sulfonamide
CID 19014043
N-propylpropane-1-sulfonamide
CID 19021556
Ethanamine;ethanesulfonic acid
CID 19895972
3-Aminobutane-1-sulfinic acid
CID 20285875
1-(Methanesulfonamido)propane-2-sulfonic acid
CID 20769651
3-(Methanesulfonamido)propane-1-sulfonic acid
CID 21043250

Frequently Asked Questions

What is the IUPAC name of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine?
The IUPAC name of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine (CID 56612901) is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine.
What is the SMILES notation for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine?
The canonical SMILES for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine is CC=S(=O)(O)NCCC.
What is the InChIKey of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine?
The InChIKey is OLNOLAXWORTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-5-6-9(7,8)4-2/h4H,3,5H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine?
N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine has a molecular weight of 151.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)propan-1-amine is sourced from PubChem (CID 56612901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).