ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal

C6H17NOS2 — CID 162238381

IUPACethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal
SMILESC.CC.O=C[C@H](CS)NS
InChIInChI=1S/C3H7NOS2.C2H6.CH4/c5-1-3(2-6)4-7;1-2;/h1,3-4,6-7H,2H2;1-2H3;1H4/t3-;;/m1../s1
InChIKeyZWJHANMBNQMJMZ-HWYNEVGZSA-N
MW183.34 g/mol
LogP1.58
Rot. Bonds3

About ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal

ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal (PubChem CID 162238381) has the molecular formula C6H17NOS2 and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal.

Molecular Properties

Compound Nameethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal
PubChem CID162238381
Molecular FormulaC6H17NOS2
Molecular Weight183.34 g/mol
Exact Mass183.08
IUPAC Nameethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal
SMILESC.CC.O=C[C@H](CS)NS
InChIInChI=1S/C3H7NOS2.C2H6.CH4/c5-1-3(2-6)4-7;1-2;/h1,3-4,6-7H,2H2;1-2H3;1H4/t3-;;/m1../s1
InChIKeyZWJHANMBNQMJMZ-HWYNEVGZSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(ethylamino)-3-sulfanylpropanal
CID 91407300
(2S)-3-hydroxy-2-(sulfanylamino)propanal
CID 89400189
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
CID 123738859
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
N-(1-sulfanylpropan-2-yl)formamide
CID 165129664
CID 59955023
CID 59955023
(2S)-2-amino-3-methyl-4-sulfanylbutanal
CID 87494692
(2R,3R,4S)-3,4-dihydroxy-2-methoxy-5-sulfanylpentanal
CID 154998367
(2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide
CID 134817549
(2S)-2-(ethylamino)propanal
CID 54567079
2-(sulfanylmethyl)hexanal
CID 527437

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal?
The IUPAC name of ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal (CID 162238381) is ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal.
What is the SMILES notation for ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal?
The canonical SMILES for ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal is C.CC.O=C[C@H](CS)NS.
What is the InChIKey of ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal?
The InChIKey is ZWJHANMBNQMJMZ-HWYNEVGZSA-N. The full InChI is InChI=1S/C3H7NOS2.C2H6.CH4/c5-1-3(2-6)4-7;1-2;/h1,3-4,6-7H,2H2;1-2H3;1H4/t3-;;/m1../s1.
What are the key properties of ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal?
ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal has a molecular weight of 183.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(2R)-3-sulfanyl-2-(sulfanylamino)propanal is sourced from PubChem (CID 162238381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).