N-methyl-4-(2-methylpropyldisulfanyl)pentanamide

C10H21NOS2 — CID 76701911

IUPACN-methyl-4-(2-methylpropyldisulfanyl)pentanamide
SMILESCNC(=O)CCC(C)SSCC(C)C
InChIInChI=1S/C10H21NOS2/c1-8(2)7-13-14-9(3)5-6-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyBNRGOIRVPDNXRO-UHFFFAOYSA-N
MW235.42 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-4-(2-methylpropyldisulfanyl)pentanamide

N-methyl-4-(2-methylpropyldisulfanyl)pentanamide (PubChem CID 76701911) has the molecular formula C10H21NOS2 and a molecular weight of 235.42 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropyldisulfanyl)pentanamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropyldisulfanyl)pentanamide
PubChem CID76701911
Molecular FormulaC10H21NOS2
Molecular Weight235.42 g/mol
Exact Mass235.11
IUPAC NameN-methyl-4-(2-methylpropyldisulfanyl)pentanamide
SMILESCNC(=O)CCC(C)SSCC(C)C
InChIInChI=1S/C10H21NOS2/c1-8(2)7-13-14-9(3)5-6-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyBNRGOIRVPDNXRO-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropyldisulfanyl)pentanamide?
The IUPAC name of N-methyl-4-(2-methylpropyldisulfanyl)pentanamide (CID 76701911) is N-methyl-4-(2-methylpropyldisulfanyl)pentanamide.
What is the SMILES notation for N-methyl-4-(2-methylpropyldisulfanyl)pentanamide?
The canonical SMILES for N-methyl-4-(2-methylpropyldisulfanyl)pentanamide is CNC(=O)CCC(C)SSCC(C)C.
What is the InChIKey of N-methyl-4-(2-methylpropyldisulfanyl)pentanamide?
The InChIKey is BNRGOIRVPDNXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS2/c1-8(2)7-13-14-9(3)5-6-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-methyl-4-(2-methylpropyldisulfanyl)pentanamide?
N-methyl-4-(2-methylpropyldisulfanyl)pentanamide has a molecular weight of 235.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropyldisulfanyl)pentanamide is sourced from PubChem (CID 76701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).