2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate

C7H15NO3S3 — CID 58670771

IUPAC2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
SMILESCSCSCSCNC(=O)OCCO
InChIInChI=1S/C7H15NO3S3/c1-12-5-14-6-13-4-8-7(10)11-3-2-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyXBSDCRLAVGXGBO-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.41
Rot. Bonds8

About 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate

2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate (PubChem CID 58670771) has the molecular formula C7H15NO3S3 and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
PubChem CID58670771
Molecular FormulaC7H15NO3S3
Molecular Weight257.40 g/mol
Exact Mass257.02
IUPAC Name2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
SMILESCSCSCSCNC(=O)OCCO
InChIInChI=1S/C7H15NO3S3/c1-12-5-14-6-13-4-8-7(10)11-3-2-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyXBSDCRLAVGXGBO-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
2-hydroxyethyl N-propylcarbamate
CID 15560805
2-hydroxyethoxy (1E)-N-[[[(E)-(2-hydroxyethoxycarbonylamino)methylsulfanylmethylsulfanylmethyliminomethyl]peroxymethylsulfanylmethylsulfanylmethoxycarbonylamino]methylsulfanylmethylsulfanylmethyl]methanimidate
CID 58670515
2-(2-hydroxyethylsulfanyl)ethyl N-(sulfanylmethylsulfanylmethyl)carbamate
CID 58670566
2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate
CID 87476466
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
2-hydroxyethyl N-[[(Z)-[(Z)-(4-hydroxy-2-oxobutylidene)amino]methylsulfanylmethylsulfanylmethylsulfanylmethylcarbamoylsulfanylmethylsulfanylmethylsulfanylmethylsulfinylmethylideneamino]methylsulfanylmethylsulfanylmethylsulfanylmethyl]carbamate
CID 58671383
2-(2-hydroxyethylsulfanyl)ethoxy (1Z)-N-[[2-[2-[(E)-[2-(2-hydroxyethylsulfanyl)ethoxycarbonylamino]methylsulfanylmethylsulfanylmethyliminomethyl]peroxyethylsulfanyl]ethoxycarbonylamino]methylsulfanylmethylsulfanylmethyl]methanimidate
CID 59488424
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-hydroxyethyl N-heptylcarbamate
CID 124705283
3-hydroxypropoxy (1E)-N-[[(E)-(3-hydroxypropoxycarbonylamino)methylsulfanylmethylsulfanylmethylsulfanylmethyliminomethyl]peroxymethylsulfanylmethylsulfanylmethylsulfanylmethylcarbamoyloxymethylsulfanylmethylsulfanylmethylsulfanylmethyl]methanimidate
CID 59488272
2-(2-hydroxyethylsulfanyl)ethoxy (1E)-N-[[2-[2-[(E)-[2-(2-hydroxyethylsulfanyl)ethoxycarbonylamino]methylsulfanylmethylsulfanylmethyliminomethyl]peroxyethylsulfanylmethylsulfanyl]ethoxycarbonylamino]methylsulfanylmethylsulfanylmethyl]methanimidate
CID 58670720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate (CID 58670771) is 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate is CSCSCSCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate?
The InChIKey is XBSDCRLAVGXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S3/c1-12-5-14-6-13-4-8-7(10)11-3-2-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate?
2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate has a molecular weight of 257.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate is sourced from PubChem (CID 58670771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).