N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H19NOS2 — CID 107030296

IUPACN-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCSCCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS2/c1-14-6-2-5-11-9(12)7-10(8-13)3-4-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyCJFDZEBQTVDSBK-UHFFFAOYSA-N
MW233.40 g/mol
LogP1.96
Rot. Bonds7

About N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030296) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030296
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC NameN-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCSCCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS2/c1-14-6-2-5-11-9(12)7-10(8-13)3-4-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyCJFDZEBQTVDSBK-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 51.96
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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Related Compounds

N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 107032145
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107020537
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide;tert-butyl N-[[1-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]cyclohexyl]methyl]carbamate
CID 158321725
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 107030144

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030296) is N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CSCCCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is CJFDZEBQTVDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-14-6-2-5-11-9(12)7-10(8-13)3-4-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 233.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).