N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H16N2OS — CID 107021957

IUPACN-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1cccnc1
InChIInChI=1S/C12H16N2OS/c15-11(6-12(9-16)3-4-12)14-8-10-2-1-5-13-7-10/h1-2,5,7,16H,3-4,6,8-9H2,(H,14,15)
InChIKeyKNLLJUHPKLOMER-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.80
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107021957) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107021957
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1cccnc1
InChIInChI=1S/C12H16N2OS/c15-11(6-12(9-16)3-4-12)14-8-10-2-1-5-13-7-10/h1-2,5,7,16H,3-4,6,8-9H2,(H,14,15)
InChIKeyKNLLJUHPKLOMER-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.80
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-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027297
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 41064666
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107021957) is N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is KNLLJUHPKLOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-11(6-12(9-16)3-4-12)14-8-10-2-1-5-13-7-10/h1-2,5,7,16H,3-4,6,8-9H2,(H,14,15).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 236.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107021957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).