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

C7H16N2OS2 — CID 102109242

IUPAC3-amino-N,N-bis(2-sulfanylethyl)propanamide
SMILESNCCC(=O)N(CCS)CCS
InChIInChI=1S/C7H16N2OS2/c8-2-1-7(10)9(3-5-11)4-6-12/h11-12H,1-6,8H2
InChIKeyBEPSBKDWEWZNIW-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.02
Rot. Bonds6

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

3-amino-N,N-bis(2-sulfanylethyl)propanamide (PubChem CID 102109242) has the molecular formula C7H16N2OS2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-sulfanylethyl)propanamide
PubChem CID102109242
Molecular FormulaC7H16N2OS2
Molecular Weight208.35 g/mol
Exact Mass208.07
IUPAC Name3-amino-N,N-bis(2-sulfanylethyl)propanamide
SMILESNCCC(=O)N(CCS)CCS
InChIInChI=1S/C7H16N2OS2/c8-2-1-7(10)9(3-5-11)4-6-12/h11-12H,1-6,8H2
InChIKeyBEPSBKDWEWZNIW-UHFFFAOYSA-N
XLogP0.02
TPSA46.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.02
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-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
CID 118066186
3-amino-N,N-bis(2-cyanoethyl)propanamide
CID 60953472
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
4-amino-N,N-dipropylbutanamide
CID 12835718
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
CID 107028882
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947544

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-sulfanylethyl)propanamide?
The IUPAC name of 3-amino-N,N-bis(2-sulfanylethyl)propanamide (CID 102109242) is 3-amino-N,N-bis(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-amino-N,N-bis(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-amino-N,N-bis(2-sulfanylethyl)propanamide is NCCC(=O)N(CCS)CCS.
What is the InChIKey of 3-amino-N,N-bis(2-sulfanylethyl)propanamide?
The InChIKey is BEPSBKDWEWZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS2/c8-2-1-7(10)9(3-5-11)4-6-12/h11-12H,1-6,8H2.
What are the key properties of 3-amino-N,N-bis(2-sulfanylethyl)propanamide?
3-amino-N,N-bis(2-sulfanylethyl)propanamide has a molecular weight of 208.35 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-sulfanylethyl)propanamide is sourced from PubChem (CID 102109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).