N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide

C7H15NOS2 — CID 23104527

IUPACN,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide
SMILESCN(C)C(=O)C(CS)CCS
InChIInChI=1S/C7H15NOS2/c1-8(2)7(9)6(5-11)3-4-10/h6,10-11H,3-5H2,1-2H3
InChIKeyNLWUFUILIQSNIL-UHFFFAOYSA-N
MW193.34 g/mol
LogP0.94
Rot. Bonds4

About N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide

N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide (PubChem CID 23104527) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide
PubChem CID23104527
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameN,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide
SMILESCN(C)C(=O)C(CS)CCS
InChIInChI=1S/C7H15NOS2/c1-8(2)7(9)6(5-11)3-4-10/h6,10-11H,3-5H2,1-2H3
InChIKeyNLWUFUILIQSNIL-UHFFFAOYSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid
CID 175065659
2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
CID 171517264
2-ethyl-N,N-dimethylhexanamide
CID 3019000
3-(dimethylamino)-2-hydroxy-N,N-dimethylpropanamide
CID 23815469
3-(methylaminomethyl)-5-sulfanylpentan-2-one
CID 134252205
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
N,N,2-trimethyl-3-oxopentanamide
CID 11205913
N,2-diethyl-4-sulfanylbutanamide
CID 87450544
4-sulfanyl-2-(2-sulfanylethyl)pentanamide
CID 91107688
(2R)-2-amino-4-hydroxy-N,N-dimethylbutanamide
CID 89160145
2-fluoro-N,N-dimethylpentanamide
CID 135391133
2-(2-sulfanylethyl)icosanoic acid
CID 88820914

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The IUPAC name of N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide (CID 23104527) is N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The canonical SMILES for N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide is CN(C)C(=O)C(CS)CCS.
What is the InChIKey of N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide?
The InChIKey is NLWUFUILIQSNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-8(2)7(9)6(5-11)3-4-10/h6,10-11H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide?
N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide has a molecular weight of 193.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide is sourced from PubChem (CID 23104527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).