N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide

C8H15NOS — CID 131071367

IUPACN-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide
SMILESCC(C)C1(NC(=O)CS)CC1
InChIInChI=1S/C8H15NOS/c1-6(2)8(3-4-8)9-7(10)5-11/h6,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyLESMRAKGHDAMLO-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.22
Rot. Bonds3

About N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide

N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide (PubChem CID 131071367) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide
PubChem CID131071367
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide
SMILESCC(C)C1(NC(=O)CS)CC1
InChIInChI=1S/C8H15NOS/c1-6(2)8(3-4-8)9-7(10)5-11/h6,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyLESMRAKGHDAMLO-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.22
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

2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)acetamide
CID 58664910
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one
CID 155036601
ethane;N-(1-propan-2-ylcyclobutyl)acetamide
CID 153377340
N-(1-selanylpropan-2-yl)-2-sulfanylacetamide
CID 159609375
1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine
CID 130979585
N-(1-methylcyclopropyl)-4-sulfanylbutanamide
CID 130595662
N-(1-methylcyclohexyl)-3-sulfanylpropanamide
CID 107027315
N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
CID 130736000
2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile
CID 130878292
N-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 130014690
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide?
The IUPAC name of N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide (CID 131071367) is N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide?
The canonical SMILES for N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide is CC(C)C1(NC(=O)CS)CC1.
What is the InChIKey of N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide?
The InChIKey is LESMRAKGHDAMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6(2)8(3-4-8)9-7(10)5-11/h6,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide?
N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide has a molecular weight of 173.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide is sourced from PubChem (CID 131071367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).