N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H23NO2S — CID 107036085

IUPACN-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)COCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NO2S/c1-10(2)8-15-6-5-13-11(14)7-12(9-16)3-4-12/h10,16H,3-9H2,1-2H3,(H,13,14)
InChIKeySPXAAGVIQGFFCX-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.88
Rot. Bonds8

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

N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107036085) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107036085
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)COCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NO2S/c1-10(2)8-15-6-5-13-11(14)7-12(9-16)3-4-12/h10,16H,3-9H2,1-2H3,(H,13,14)
InChIKeySPXAAGVIQGFFCX-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.88
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

2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738452
2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 107030144
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027241
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107036085) is N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(C)COCCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is SPXAAGVIQGFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)8-15-6-5-13-11(14)7-12(9-16)3-4-12/h10,16H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 245.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107036085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).