3-butylsulfanyl-N-ethyl-2-methylpropanamide

C10H21NOS — CID 59082372

IUPAC3-butylsulfanyl-N-ethyl-2-methylpropanamide
SMILESCCCCSCC(C)C(=O)NCC
InChIInChI=1S/C10H21NOS/c1-4-6-7-13-8-9(3)10(12)11-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDWKZFLKUHHSIHQ-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.29
Rot. Bonds7

About 3-butylsulfanyl-N-ethyl-2-methylpropanamide

3-butylsulfanyl-N-ethyl-2-methylpropanamide (PubChem CID 59082372) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-butylsulfanyl-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name3-butylsulfanyl-N-ethyl-2-methylpropanamide
PubChem CID59082372
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-butylsulfanyl-N-ethyl-2-methylpropanamide
SMILESCCCCSCC(C)C(=O)NCC
InChIInChI=1S/C10H21NOS/c1-4-6-7-13-8-9(3)10(12)11-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDWKZFLKUHHSIHQ-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-3-thiomorpholinone
CID 95098
3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
3,3'-thiobis[N-(3-methylbutyl)propanamide]
CID 2932047
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
Propionamide, N,2-dimethyl-2-isopropylthio-
CID 3051481
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
N-((thiolan-3-yl)methyl)acetamide
CID 107298403
S-(2-acetamidoethyl) 2-methylpentanethioate
CID 44427132
3-(2-amino-2-oxoethyl)sulfanyl-N-(cyclopropylmethyl)propanamide
CID 47023340
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-N-ethyl-2-methylpropanamide?
The IUPAC name of 3-butylsulfanyl-N-ethyl-2-methylpropanamide (CID 59082372) is 3-butylsulfanyl-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 3-butylsulfanyl-N-ethyl-2-methylpropanamide?
The canonical SMILES for 3-butylsulfanyl-N-ethyl-2-methylpropanamide is CCCCSCC(C)C(=O)NCC.
What is the InChIKey of 3-butylsulfanyl-N-ethyl-2-methylpropanamide?
The InChIKey is DWKZFLKUHHSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-6-7-13-8-9(3)10(12)11-5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 3-butylsulfanyl-N-ethyl-2-methylpropanamide?
3-butylsulfanyl-N-ethyl-2-methylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 59082372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).