2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide

C11H21NO2S2 — CID 134856350

IUPAC2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide
SMILESCCSC(SCC)=C(C(=O)N(C)C)C(C)O
InChIInChI=1S/C11H21NO2S2/c1-6-15-11(16-7-2)9(8(3)13)10(14)12(4)5/h8,13H,6-7H2,1-5H3
InChIKeyAHBFAMZSWQUAPE-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.17
Rot. Bonds6

About 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide

2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide (PubChem CID 134856350) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide
PubChem CID134856350
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC Name2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide
SMILESCCSC(SCC)=C(C(=O)N(C)C)C(C)O
InChIInChI=1S/C11H21NO2S2/c1-6-15-11(16-7-2)9(8(3)13)10(14)12(4)5/h8,13H,6-7H2,1-5H3
InChIKeyAHBFAMZSWQUAPE-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N-methylbutanamide
CID 53260206
S-ethyl N-(2-hydroxypropyl)-N-propylcarbamothioate
CID 71370940
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632
ethene;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87296608
propan-2-yl ethylsulfanylformate
CID 130241009
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
[(1S)-1-ethylsulfanylcarbonyloxyethyl] acetate
CID 124673928
magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
CID 173386535
S-propan-2-yl (Z)-3-ethylsulfanylbut-2-enethioate
CID 21160498

Frequently Asked Questions

What is the IUPAC name of 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide (CID 134856350) is 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide is CCSC(SCC)=C(C(=O)N(C)C)C(C)O.
What is the InChIKey of 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide?
The InChIKey is AHBFAMZSWQUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S2/c1-6-15-11(16-7-2)9(8(3)13)10(14)12(4)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide?
2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide has a molecular weight of 263.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(ethylsulfanyl)methylidene]-3-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 134856350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).