N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide

C11H24N2OS — CID 87449462

IUPACN-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide
SMILESCCCC(CS)C(=O)NCC(C)N(C)C
InChIInChI=1S/C11H24N2OS/c1-5-6-10(8-15)11(14)12-7-9(2)13(3)4/h9-10,15H,5-8H2,1-4H3,(H,12,14)
InChIKeyXMQMFEWZPOXPON-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide

N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide (PubChem CID 87449462) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide
PubChem CID87449462
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide
SMILESCCCC(CS)C(=O)NCC(C)N(C)C
InChIInChI=1S/C11H24N2OS/c1-5-6-10(8-15)11(14)12-7-9(2)13(3)4/h9-10,15H,5-8H2,1-4H3,(H,12,14)
InChIKeyXMQMFEWZPOXPON-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide (CID 87449462) is N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide is CCCC(CS)C(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide?
The InChIKey is XMQMFEWZPOXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-6-10(8-15)11(14)12-7-9(2)13(3)4/h9-10,15H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide?
N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide has a molecular weight of 232.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 87449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).