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

C12H23NOS — CID 107030496

IUPACN-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCCCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-2-3-4-5-8-13-11(14)9-12(10-15)6-7-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyDPOHEASOEWKOFS-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.78
Rot. Bonds8

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

N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030496) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030496
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCCCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-2-3-4-5-8-13-11(14)9-12(10-15)6-7-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyDPOHEASOEWKOFS-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107818575
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 107032145
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
N-dodecyl-4-sulfanylbutanamide
CID 139637392
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
ethane;methanethiol;N-nonylpropanamide
CID 177150000
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107020537
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-(5-sulfanylpentyl)hexanamide
CID 178061899

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030496) is N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCCCCCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is DPOHEASOEWKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-2-3-4-5-8-13-11(14)9-12(10-15)6-7-12/h15H,2-10H2,1H3,(H,13,14).
What are the key properties of N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 229.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).