N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C14H26N2OS — CID 107027241

IUPACN-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(CNC(=O)CC1(CS)CC1)N1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-12(16-7-3-2-4-8-16)10-15-13(17)9-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H,15,17)
InChIKeyADOORABPGYHPMJ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.08
Rot. Bonds6

About N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107027241) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107027241
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(CNC(=O)CC1(CS)CC1)N1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-12(16-7-3-2-4-8-16)10-15-13(17)9-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H,15,17)
InChIKeyADOORABPGYHPMJ-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.08
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

N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
2-pyrrolidin-1-ylpropylurea
CID 112728366
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 78995285
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107027241) is N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(CNC(=O)CC1(CS)CC1)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is ADOORABPGYHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(16-7-3-2-4-8-16)10-15-13(17)9-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H,15,17).
What are the key properties of N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107027241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).