3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide

C7H15NOS3 — CID 118066186

IUPAC3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
SMILESO=C(CCS)N(CCS)CCS
InChIInChI=1S/C7H15NOS3/c9-7(1-4-10)8(2-5-11)3-6-12/h10-12H,1-6H2
InChIKeyBPAIOMZOGSYESI-UHFFFAOYSA-N
MW225.40 g/mol
LogP0.99
Rot. Bonds6

About 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide

3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide (PubChem CID 118066186) has the molecular formula C7H15NOS3 and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
PubChem CID118066186
Molecular FormulaC7H15NOS3
Molecular Weight225.40 g/mol
Exact Mass225.03
IUPAC Name3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
SMILESO=C(CCS)N(CCS)CCS
InChIInChI=1S/C7H15NOS3/c9-7(1-4-10)8(2-5-11)3-6-12/h10-12H,1-6H2
InChIKeyBPAIOMZOGSYESI-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-bis(2-sulfanylethyl)propanamide
CID 102109242
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
N-ethyl-N-propyl-3-sulfanylpropanamide
CID 107022413
N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
CID 107028882
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-prop-2-enyl-3-sulfanylpropanehydrazide
CID 88672663
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide?
The IUPAC name of 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide (CID 118066186) is 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide is O=C(CCS)N(CCS)CCS.
What is the InChIKey of 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide?
The InChIKey is BPAIOMZOGSYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS3/c9-7(1-4-10)8(2-5-11)3-6-12/h10-12H,1-6H2.
What are the key properties of 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide?
3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide has a molecular weight of 225.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide is sourced from PubChem (CID 118066186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).