N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide

C14H27NOS2 — CID 90764188

IUPACN-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)(C)C1(CSSCC)CC1C
InChIInChI=1S/C14H27NOS2/c1-6-8-12(16)15-13(4,5)14(9-11(14)3)10-18-17-7-2/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyCKGFVLOSQRRZFG-UHFFFAOYSA-N
MW289.51 g/mol
LogP4.11
Rot. Bonds8

About N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide

N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide (PubChem CID 90764188) has the molecular formula C14H27NOS2 and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide
PubChem CID90764188
Molecular FormulaC14H27NOS2
Molecular Weight289.51 g/mol
Exact Mass289.15
IUPAC NameN-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)(C)C1(CSSCC)CC1C
InChIInChI=1S/C14H27NOS2/c1-6-8-12(16)15-13(4,5)14(9-11(14)3)10-18-17-7-2/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyCKGFVLOSQRRZFG-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide?
The IUPAC name of N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide (CID 90764188) is N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide.
What is the SMILES notation for N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide?
The canonical SMILES for N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide is CCCC(=O)NC(C)(C)C1(CSSCC)CC1C.
What is the InChIKey of N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide?
The InChIKey is CKGFVLOSQRRZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS2/c1-6-8-12(16)15-13(4,5)14(9-11(14)3)10-18-17-7-2/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide?
N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide has a molecular weight of 289.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(ethyldisulfanyl)methyl]-2-methylcyclopropyl]propan-2-yl]butanamide is sourced from PubChem (CID 90764188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).