N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide

C10H19NOS — CID 115167608

IUPACN-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
SMILESCC(C)(CNC(=O)CS)C1CCC1
InChIInChI=1S/C10H19NOS/c1-10(2,8-4-3-5-8)7-11-9(12)6-13/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyRDDVAAUHKYVQOU-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.86
Rot. Bonds4

About N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide

N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide (PubChem CID 115167608) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
PubChem CID115167608
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
SMILESCC(C)(CNC(=O)CS)C1CCC1
InChIInChI=1S/C10H19NOS/c1-10(2,8-4-3-5-8)7-11-9(12)6-13/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyRDDVAAUHKYVQOU-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165302
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
(E)-4-[(2-cyclobutyl-2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 115177367
N-(2-cyclobutyl-2-methylpropyl)-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182505
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
N-(2-cyclobutyl-2-methylpropyl)-2-morpholin-2-ylacetamide
CID 115178244
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide (CID 115167608) is N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide is CC(C)(CNC(=O)CS)C1CCC1.
What is the InChIKey of N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide?
The InChIKey is RDDVAAUHKYVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(2,8-4-3-5-8)7-11-9(12)6-13/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide?
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide has a molecular weight of 201.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide is sourced from PubChem (CID 115167608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).