N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C9H17NOS2 — CID 107030280

IUPACN-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCSCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C9H17NOS2/c1-13-5-4-10-8(11)6-9(7-12)2-3-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyIXNQQJSTEBFMIZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP1.57
Rot. Bonds6

About N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030280) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030280
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC NameN-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCSCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C9H17NOS2/c1-13-5-4-10-8(11)6-9(7-12)2-3-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyIXNQQJSTEBFMIZ-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030280) is N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CSCCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is IXNQQJSTEBFMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-13-5-4-10-8(11)6-9(7-12)2-3-9/h12H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 219.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).