N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide

C7H13N3O3S — CID 107028882

IUPACN,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
SMILESNC(=O)CN(CC(N)=O)C(=O)CCS
InChIInChI=1S/C7H13N3O3S/c8-5(11)3-10(4-6(9)12)7(13)1-2-14/h14H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyQZGGGNWQSUEXAN-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.89
Rot. Bonds6

About N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide

N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide (PubChem CID 107028882) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
PubChem CID107028882
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
SMILESNC(=O)CN(CC(N)=O)C(=O)CCS
InChIInChI=1S/C7H13N3O3S/c8-5(11)3-10(4-6(9)12)7(13)1-2-14/h14H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyQZGGGNWQSUEXAN-UHFFFAOYSA-N
XLogP-1.89
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.89
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

N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
(2R)-2-acetamido-3-sulfanyl-N-(2-sulfanylethyl)propanamide
CID 516570
Acetylcysteinamide, DL-
CID 9942232
Oxamide, (3-((2-mercaptoethyl)amino)propyl)-, monohydrochloride
CID 32468
4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one
CID 155541180
Ac-Cys-NHMe
CID 11949287
Propanamide, N-(2-amino-2-oxoethyl)-2-mercapto-
CID 165504
N',N'-bis(2-sulfanylethyl)oxamide
CID 53437206
S-sulfanyl (2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanethioate
CID 53882480
(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide
CID 54058910
l-Cysteine diethylamide
CID 87733832

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide (CID 107028882) is N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide is NC(=O)CN(CC(N)=O)C(=O)CCS.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The InChIKey is QZGGGNWQSUEXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c8-5(11)3-10(4-6(9)12)7(13)1-2-14/h14H,1-4H2,(H2,8,11)(H2,9,12).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide has a molecular weight of 219.27 g/mol, XLogP of -1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107028882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).