N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide

C14H28N2OS — CID 82984934

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(CC)CC(C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-5-8-12(9-6-2)14(17)16(7-3)10-11(4)13(15)18/h11-12H,5-10H2,1-4H3,(H2,15,18)
InChIKeyUXIZIBRCSSMHQH-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.97
Rot. Bonds9

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide (PubChem CID 82984934) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide
PubChem CID82984934
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(CC)CC(C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-5-8-12(9-6-2)14(17)16(7-3)10-11(4)13(15)18/h11-12H,5-10H2,1-4H3,(H2,15,18)
InChIKeyUXIZIBRCSSMHQH-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide (CID 82984934) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide is CCCC(CCC)C(=O)N(CC)CC(C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide?
The InChIKey is UXIZIBRCSSMHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-5-8-12(9-6-2)14(17)16(7-3)10-11(4)13(15)18/h11-12H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide has a molecular weight of 272.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide is sourced from PubChem (CID 82984934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).