2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid

C10H22N2O3S — CID 19047866

IUPAC2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid
SMILESCCOCCSCCCNCCNC(=O)O
InChIInChI=1S/C10H22N2O3S/c1-2-15-7-9-16-8-3-4-11-5-6-12-10(13)14/h11-12H,2-9H2,1H3,(H,13,14)
InChIKeyLFNTYBSQQFGUIH-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.00
Rot. Bonds11

About 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid

2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid (PubChem CID 19047866) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid
PubChem CID19047866
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid
SMILESCCOCCSCCCNCCNC(=O)O
InChIInChI=1S/C10H22N2O3S/c1-2-15-7-9-16-8-3-4-11-5-6-12-10(13)14/h11-12H,2-9H2,1H3,(H,13,14)
InChIKeyLFNTYBSQQFGUIH-UHFFFAOYSA-N
XLogP1.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63856708
ethyl 8-(2-ethoxyethylsulfanyl)octanoate
CID 15020144
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
S-(2-ethoxyethyl) 2-hydroxyethanethioate
CID 57098905
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
3-[3-(dodecylamino)propylsulfanyl]propanoic acid
CID 142462167
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043
ethyl 5-[2-[2-[2-(4-ethoxy-4-oxobutyl)sulfanylethoxy]ethoxy]ethylsulfanyl]pentanoate
CID 118267091
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid?
The IUPAC name of 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid (CID 19047866) is 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid?
The canonical SMILES for 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid is CCOCCSCCCNCCNC(=O)O.
What is the InChIKey of 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid?
The InChIKey is LFNTYBSQQFGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-15-7-9-16-8-3-4-11-5-6-12-10(13)14/h11-12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid?
2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid has a molecular weight of 250.36 g/mol, XLogP of 1.00, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid is sourced from PubChem (CID 19047866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).