N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide

C11H24N2OS2 — CID 23104542

IUPACN-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCC(CNC(=O)C(CS)CCCS)N(C)C
InChIInChI=1S/C11H24N2OS2/c1-9(13(2)3)7-12-11(14)10(8-16)5-4-6-15/h9-10,15-16H,4-8H2,1-3H3,(H,12,14)
InChIKeyBROFEUPRRQIELW-UHFFFAOYSA-N
MW264.46 g/mol
LogP1.31
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide

N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide (PubChem CID 23104542) has the molecular formula C11H24N2OS2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
PubChem CID23104542
Molecular FormulaC11H24N2OS2
Molecular Weight264.46 g/mol
Exact Mass264.13
IUPAC NameN-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCC(CNC(=O)C(CS)CCCS)N(C)C
InChIInChI=1S/C11H24N2OS2/c1-9(13(2)3)7-12-11(14)10(8-16)5-4-6-15/h9-10,15-16H,4-8H2,1-3H3,(H,12,14)
InChIKeyBROFEUPRRQIELW-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide (CID 23104542) is N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide is CC(CNC(=O)C(CS)CCCS)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The InChIKey is BROFEUPRRQIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS2/c1-9(13(2)3)7-12-11(14)10(8-16)5-4-6-15/h9-10,15-16H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide has a molecular weight of 264.46 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 23104542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).