2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide

C10H19NOS — CID 114618404

IUPAC2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CSCCCC
InChIInChI=1S/C10H19NOS/c1-4-5-6-13-8-10(12)11-7-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeyVGZXVSHBRNNSOF-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.21
Rot. Bonds7

About 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide

2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114618404) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID114618404
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CSCCCC
InChIInChI=1S/C10H19NOS/c1-4-5-6-13-8-10(12)11-7-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeyVGZXVSHBRNNSOF-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618631
2-[2-(2-methylprop-2-enylamino)-2-oxoethyl]sulfanylacetic acid
CID 114615305
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112781221
N-butyl-2-octylsulfanylacetamide
CID 4583267
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987
N-benzyl-2-butylsulfanylacetamide
CID 112781296
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
2-pentylsulfanylacetohydrazide
CID 107760927
N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
CID 87966580
2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724054

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide (CID 114618404) is 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)CSCCCC.
What is the InChIKey of 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is VGZXVSHBRNNSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-5-6-13-8-10(12)11-7-9(2)3/h2,4-8H2,1,3H3,(H,11,12).
What are the key properties of 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide?
2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 201.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114618404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).