2-(diethylamino)-N-(thian-4-yl)butanamide

C13H26N2OS — CID 131961735

IUPAC2-(diethylamino)-N-(thian-4-yl)butanamide
SMILESCCC(C(=O)NC1CCSCC1)N(CC)CC
InChIInChI=1S/C13H26N2OS/c1-4-12(15(5-2)6-3)13(16)14-11-7-9-17-10-8-11/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyWOXKPNOOXXGEQQ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds6

About 2-(diethylamino)-N-(thian-4-yl)butanamide

2-(diethylamino)-N-(thian-4-yl)butanamide (PubChem CID 131961735) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-(thian-4-yl)butanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(thian-4-yl)butanamide
PubChem CID131961735
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-(diethylamino)-N-(thian-4-yl)butanamide
SMILESCCC(C(=O)NC1CCSCC1)N(CC)CC
InChIInChI=1S/C13H26N2OS/c1-4-12(15(5-2)6-3)13(16)14-11-7-9-17-10-8-11/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyWOXKPNOOXXGEQQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-DL-methioninamide
CID 536763
N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5157994
N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 3522024
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(thian-4-yl)butanamide?
The IUPAC name of 2-(diethylamino)-N-(thian-4-yl)butanamide (CID 131961735) is 2-(diethylamino)-N-(thian-4-yl)butanamide.
What is the SMILES notation for 2-(diethylamino)-N-(thian-4-yl)butanamide?
The canonical SMILES for 2-(diethylamino)-N-(thian-4-yl)butanamide is CCC(C(=O)NC1CCSCC1)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-N-(thian-4-yl)butanamide?
The InChIKey is WOXKPNOOXXGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-12(15(5-2)6-3)13(16)14-11-7-9-17-10-8-11/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-(diethylamino)-N-(thian-4-yl)butanamide?
2-(diethylamino)-N-(thian-4-yl)butanamide has a molecular weight of 258.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(thian-4-yl)butanamide is sourced from PubChem (CID 131961735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).