N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide

C10H21N3O3S — CID 153346647

IUPACN-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)NCCN(O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-9(14)7-17-8-10(15)12-4-6-13(16)5-2-3-11/h16H,2-8,11H2,1H3,(H,12,15)
InChIKeyOGWLHCXOFOOBEQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.54
Rot. Bonds10

About N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide

N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide (PubChem CID 153346647) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
PubChem CID153346647
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)NCCN(O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-9(14)7-17-8-10(15)12-4-6-13(16)5-2-3-11/h16H,2-8,11H2,1H3,(H,12,15)
InChIKeyOGWLHCXOFOOBEQ-UHFFFAOYSA-N
XLogP-0.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569490
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
CID 84555660
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820
S-[2-(6-aminohexylamino)-2-oxoethyl] ethanethioate
CID 86603506
2-(2-aminoethylsulfanyl)-N-pentylacetamide
CID 84556648
N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
2-[2-(3-acetamidopropylamino)-2-oxoethyl]sulfanylacetic acid
CID 19593898
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(3-aminopropyl)-2-tert-butylsulfanylacetamide
CID 62268274
N',N'-bis(3-aminopropyl)-N-[3-[3-[[4-[bis(3-aminopropyl)amino]-4-oxobutanoyl]amino]propyl-(4-oxopentanoyl)amino]propyl]butanediamide;ethane
CID 143837667

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The IUPAC name of N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide (CID 153346647) is N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide.
What is the SMILES notation for N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The canonical SMILES for N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide is CC(=O)CSCC(=O)NCCN(O)CCCN.
What is the InChIKey of N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The InChIKey is OGWLHCXOFOOBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(14)7-17-8-10(15)12-4-6-13(16)5-2-3-11/h16H,2-8,11H2,1H3,(H,12,15).
What are the key properties of N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide?
N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide is sourced from PubChem (CID 153346647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).