2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide

C8H17N3O2S2 — CID 118120024

IUPAC2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide
SMILESNC(=O)C(CCS)NC(=O)C(N)CCS
InChIInChI=1S/C8H17N3O2S2/c9-5(1-3-14)8(13)11-6(2-4-15)7(10)12/h5-6,14-15H,1-4,9H2,(H2,10,12)(H,11,13)
InChIKeyDQKFEDRSQNMOKB-UHFFFAOYSA-N
MW251.38 g/mol
LogP-1.08
Rot. Bonds7

About 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide

2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide (PubChem CID 118120024) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide
PubChem CID118120024
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide
SMILESNC(=O)C(CCS)NC(=O)C(N)CCS
InChIInChI=1S/C8H17N3O2S2/c9-5(1-3-14)8(13)11-6(2-4-15)7(10)12/h5-6,14-15H,1-4,9H2,(H2,10,12)(H,11,13)
InChIKeyDQKFEDRSQNMOKB-UHFFFAOYSA-N
XLogP-1.08
TPSA98.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide
CID 54003178
(2R)-2-amino-N-[(3S)-5,5-dimethyl-4-oxo-1-sulfanylhexan-3-yl]-3-sulfanylpropanamide
CID 166832164
4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
CID 167519008
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-1-oxoheptan-2-yl]heptanamide
CID 59033718
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 118900899
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
(4S)-4-amino-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 11000252
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 25089994
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 10290641
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-sulfanylbutanoic acid
CID 11148435
(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide
CID 122462120
(3S)-4-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-2,3-diaminopropanoyl]amino]-4-oxobutanoic acid
CID 126611530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide (CID 118120024) is 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide is NC(=O)C(CCS)NC(=O)C(N)CCS.
What is the InChIKey of 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide?
The InChIKey is DQKFEDRSQNMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c9-5(1-3-14)8(13)11-6(2-4-15)7(10)12/h5-6,14-15H,1-4,9H2,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide?
2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide has a molecular weight of 251.38 g/mol, XLogP of -1.08, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide is sourced from PubChem (CID 118120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).