2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid

C5H12N2O3S — CID 135336731

IUPAC2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid
SMILESNC(S)COCCNC(=O)O
InChIInChI=1S/C5H12N2O3S/c6-4(11)3-10-2-1-7-5(8)9/h4,7,11H,1-3,6H2,(H,8,9)
InChIKeySJACOMQGXUYFSG-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.51
Rot. Bonds5

About 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid

2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid (PubChem CID 135336731) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid
PubChem CID135336731
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid
SMILESNC(S)COCCNC(=O)O
InChIInChI=1S/C5H12N2O3S/c6-4(11)3-10-2-1-7-5(8)9/h4,7,11H,1-3,6H2,(H,8,9)
InChIKeySJACOMQGXUYFSG-UHFFFAOYSA-N
XLogP-0.51
TPSA84.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
CID 88542577
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998
2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
CID 174189370
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid?
The IUPAC name of 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid (CID 135336731) is 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid.
What is the SMILES notation for 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid?
The canonical SMILES for 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid is NC(S)COCCNC(=O)O.
What is the InChIKey of 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid?
The InChIKey is SJACOMQGXUYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c6-4(11)3-10-2-1-7-5(8)9/h4,7,11H,1-3,6H2,(H,8,9).
What are the key properties of 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid?
2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid has a molecular weight of 180.23 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid is sourced from PubChem (CID 135336731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).