2-butylsulfanyl-N,N-diethylacetamide

C10H21NOS — CID 12528633

IUPAC2-butylsulfanyl-N,N-diethylacetamide
SMILESCCCCSCC(=O)N(CC)CC
InChIInChI=1S/C10H21NOS/c1-4-7-8-13-9-10(12)11(5-2)6-3/h4-9H2,1-3H3
InChIKeyCFUGVTRXGXUCLK-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds7

About 2-butylsulfanyl-N,N-diethylacetamide

2-butylsulfanyl-N,N-diethylacetamide (PubChem CID 12528633) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-butylsulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N,N-diethylacetamide
PubChem CID12528633
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-butylsulfanyl-N,N-diethylacetamide
SMILESCCCCSCC(=O)N(CC)CC
InChIInChI=1S/C10H21NOS/c1-4-7-8-13-9-10(12)11(5-2)6-3/h4-9H2,1-3H3
InChIKeyCFUGVTRXGXUCLK-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61236004
2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
CID 71326230
2-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpentanoic acid
CID 114234540
N,N-diethyl-2-[3-(2-methoxyethylamino)propylsulfanyl]acetamide
CID 114235060
2-[(2-butylsulfanylacetyl)-methylamino]acetic acid
CID 43356278
3-(2-amino-2-oxoethyl)sulfanyl-N,N-diethylpropanamide
CID 60734352
methyl 4-butylsulfanyl-3-oxobutanoate
CID 14002636
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
3-[(2-butylsulfanylacetyl)-propan-2-ylamino]propanoic acid
CID 60831611
ethyl 2-[(2-butylsulfanylacetyl)-propan-2-ylamino]acetate
CID 54900902
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814
3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-butylsulfanyl-N,N-diethylacetamide (CID 12528633) is 2-butylsulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-butylsulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-butylsulfanyl-N,N-diethylacetamide is CCCCSCC(=O)N(CC)CC.
What is the InChIKey of 2-butylsulfanyl-N,N-diethylacetamide?
The InChIKey is CFUGVTRXGXUCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-7-8-13-9-10(12)11(5-2)6-3/h4-9H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N,N-diethylacetamide?
2-butylsulfanyl-N,N-diethylacetamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 12528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).