5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide

C10H20N2OS — CID 12500633

IUPAC5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
SMILESCC(CC(=O)N(C)C)CC(=S)N(C)C
InChIInChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyWRESSYGFBLMGGU-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds4

About 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide

5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide (PubChem CID 12500633) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
PubChem CID12500633
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
SMILESCC(CC(=O)N(C)C)CC(=S)N(C)C
InChIInChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyWRESSYGFBLMGGU-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,3,6-tetramethyl-5-oxoheptanethioamide
CID 12500644
(3R)-N,N,3-trimethylhexanamide
CID 170848594
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
4-amino-N,N,3-trimethylpentanamide
CID 102537836
N,N,3-trimethylpent-4-enamide
CID 10654310
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The IUPAC name of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide (CID 12500633) is 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide.
What is the SMILES notation for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The canonical SMILES for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide is CC(CC(=O)N(C)C)CC(=S)N(C)C.
What is the InChIKey of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The InChIKey is WRESSYGFBLMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide has a molecular weight of 216.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide is sourced from PubChem (CID 12500633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).