N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide

C8H16N2OS — CID 130736000

IUPACN-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
SMILESCC(C)N1CC(NC(=O)CS)C1
InChIInChI=1S/C8H16N2OS/c1-6(2)10-3-7(4-10)9-8(11)5-12/h6-7,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyYAGDUHYDQPLTKR-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.12
Rot. Bonds3

About N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide

N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide (PubChem CID 130736000) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
PubChem CID130736000
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
SMILESCC(C)N1CC(NC(=O)CS)C1
InChIInChI=1S/C8H16N2OS/c1-6(2)10-3-7(4-10)9-8(11)5-12/h6-7,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyYAGDUHYDQPLTKR-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-propan-2-ylazetidin-3-yl)urea
CID 130678981
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
N-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide (CID 130736000) is N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide is CC(C)N1CC(NC(=O)CS)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide?
The InChIKey is YAGDUHYDQPLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(2)10-3-7(4-10)9-8(11)5-12/h6-7,12H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide?
N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide has a molecular weight of 188.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 130736000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).