N-[1-(sulfanylmethyl)cyclopropyl]acetamide

C6H11NOS — CID 130014690

IUPACN-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(=O)NC1(CS)CC1
InChIInChI=1S/C6H11NOS/c1-5(8)7-6(4-9)2-3-6/h9H,2-4H2,1H3,(H,7,8)
InChIKeyBIQPWLWZKATJEG-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds2

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

N-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 130014690) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID130014690
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(=O)NC1(CS)CC1
InChIInChI=1S/C6H11NOS/c1-5(8)7-6(4-9)2-3-6/h9H,2-4H2,1H3,(H,7,8)
InChIKeyBIQPWLWZKATJEG-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-[3-(chloromethyl)oxolan-3-yl]acetamide
CID 131008261
N-(3-propyloxolan-3-yl)acetamide
CID 130634427
N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
CID 139551842
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide
CID 130691680
N-[1-(2-methylpropyl)-3-oxocyclopentyl]acetamide
CID 59050110
N-(1-acetylcyclobutyl)acetamide
CID 59658507
N-[4-(cyclohexylmethyl)piperidin-4-yl]acetamide
CID 18318114
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975
N-[1-(2-chloroacetyl)cyclobutyl]acetamide
CID 104701673
N-[(1R,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
CID 102210916

Frequently Asked Questions

What is the IUPAC name of N-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 130014690) is N-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(=O)NC1(CS)CC1.
What is the InChIKey of N-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is BIQPWLWZKATJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-5(8)7-6(4-9)2-3-6/h9H,2-4H2,1H3,(H,7,8).
What are the key properties of N-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 145.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 130014690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).