4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide

C9H20N2OS — CID 90339076

IUPAC4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide
SMILESCCSC(CC(=O)NC)CN(C)C
InChIInChI=1S/C9H20N2OS/c1-5-13-8(7-11(3)4)6-9(12)10-2/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyMDMOADZUVJCKBC-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.81
Rot. Bonds6

About 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide

4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide (PubChem CID 90339076) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide
PubChem CID90339076
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide
SMILESCCSC(CC(=O)NC)CN(C)C
InChIInChI=1S/C9H20N2OS/c1-5-13-8(7-11(3)4)6-9(12)10-2/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyMDMOADZUVJCKBC-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
2-ethylsulfanyl-N,N-dimethylpropan-1-amine
CID 123426683
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide
CID 88944013
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
N-methyl-3-(4-methylhexan-2-ylamino)butanamide
CID 115892025
N-methyl-3-propan-2-yloxyhexanamide
CID 123688714
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
3-ethoxy-N-methylpentanamide
CID 123953806
N',N'-dibutyl-N-methylpropanediamide
CID 58195820
3-ethylsulfanylbutanehydrazide
CID 63582860

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide?
The IUPAC name of 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide (CID 90339076) is 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide?
The canonical SMILES for 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide is CCSC(CC(=O)NC)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide?
The InChIKey is MDMOADZUVJCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-13-8(7-11(3)4)6-9(12)10-2/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide?
4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide has a molecular weight of 204.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide is sourced from PubChem (CID 90339076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).