N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide

C15H22N2OS — CID 107025389

IUPACN-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(S)c1
InChIInChI=1S/C15H22N2OS/c1-12(11-17-8-3-2-4-9-17)16-15(18)13-6-5-7-14(19)10-13/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,16,18)
InChIKeyWZGXNEINMQUOHD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.58
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide

N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide (PubChem CID 107025389) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
PubChem CID107025389
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(S)c1
InChIInChI=1S/C15H22N2OS/c1-12(11-17-8-3-2-4-9-17)16-15(18)13-6-5-7-14(19)10-13/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,16,18)
InChIKeyWZGXNEINMQUOHD-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.58
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

3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
CID 125172341
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide (CID 107025389) is N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide is CC(CN1CCCCC1)NC(=O)c1cccc(S)c1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide?
The InChIKey is WZGXNEINMQUOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(11-17-8-3-2-4-9-17)16-15(18)13-6-5-7-14(19)10-13/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide?
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide has a molecular weight of 278.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide is sourced from PubChem (CID 107025389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).