N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide

C10H22N2OS2 — CID 23104516

IUPACN-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide
SMILESCC(CNC(=O)C(CS)CCS)N(C)C
InChIInChI=1S/C10H22N2OS2/c1-8(12(2)3)6-11-10(13)9(7-15)4-5-14/h8-9,14-15H,4-7H2,1-3H3,(H,11,13)
InChIKeyORRXTEUEGOXMGM-UHFFFAOYSA-N
MW250.43 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide

N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide (PubChem CID 23104516) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide
PubChem CID23104516
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC NameN-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide
SMILESCC(CNC(=O)C(CS)CCS)N(C)C
InChIInChI=1S/C10H22N2OS2/c1-8(12(2)3)6-11-10(13)9(7-15)4-5-14/h8-9,14-15H,4-7H2,1-3H3,(H,11,13)
InChIKeyORRXTEUEGOXMGM-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 50.92
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]-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide (CID 23104516) is N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide is CC(CNC(=O)C(CS)CCS)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The InChIKey is ORRXTEUEGOXMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-8(12(2)3)6-11-10(13)9(7-15)4-5-14/h8-9,14-15H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide?
N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide has a molecular weight of 250.43 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide is sourced from PubChem (CID 23104516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).