N-[2-(2-aminoethylsulfanyl)ethyl]formamide

C5H12N2OS — CID 59921323

IUPACN-[2-(2-aminoethylsulfanyl)ethyl]formamide
SMILESNCCSCCNC=O
InChIInChI=1S/C5H12N2OS/c6-1-3-9-4-2-7-5-8/h5H,1-4,6H2,(H,7,8)
InChIKeyLEVJWUMEXFPDRF-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.58
Rot. Bonds6

About N-[2-(2-aminoethylsulfanyl)ethyl]formamide

N-[2-(2-aminoethylsulfanyl)ethyl]formamide (PubChem CID 59921323) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N-[2-(2-aminoethylsulfanyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylsulfanyl)ethyl]formamide
PubChem CID59921323
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN-[2-(2-aminoethylsulfanyl)ethyl]formamide
SMILESNCCSCCNC=O
InChIInChI=1S/C5H12N2OS/c6-1-3-9-4-2-7-5-8/h5H,1-4,6H2,(H,7,8)
InChIKeyLEVJWUMEXFPDRF-UHFFFAOYSA-N
XLogP-0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
CID 121459092
N-(2-hydrazinylethyl)formamide
CID 89116528
N-[2-(2-aminoethyldisulfanyl)ethyl]formamide;2-methylhexan-3-one
CID 145061866
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
CID 175755991
methyl (E)-4-[2-(2-aminoethylsulfanyl)ethylamino]-4-oxobut-2-enoate
CID 89434258
3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
CID 106318312
3-[2-(3-oxopropylsulfanyl)ethylamino]propanal
CID 87524711
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate
CID 19964836
(2R)-2-amino-3-(2-aminoethylsulfanyl)propanal
CID 18645547
N-butylformamide;N'-methylethane-1,2-diamine
CID 142935984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]formamide?
The IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]formamide (CID 59921323) is N-[2-(2-aminoethylsulfanyl)ethyl]formamide.
What is the SMILES notation for N-[2-(2-aminoethylsulfanyl)ethyl]formamide?
The canonical SMILES for N-[2-(2-aminoethylsulfanyl)ethyl]formamide is NCCSCCNC=O.
What is the InChIKey of N-[2-(2-aminoethylsulfanyl)ethyl]formamide?
The InChIKey is LEVJWUMEXFPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c6-1-3-9-4-2-7-5-8/h5H,1-4,6H2,(H,7,8).
What are the key properties of N-[2-(2-aminoethylsulfanyl)ethyl]formamide?
N-[2-(2-aminoethylsulfanyl)ethyl]formamide has a molecular weight of 148.23 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylsulfanyl)ethyl]formamide is sourced from PubChem (CID 59921323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).