2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide

C15H22N2OS — CID 107025186

IUPAC2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11-5-6-13(19)9-14(11)15(18)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyPTRXPDLJXVEZHY-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide

2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide (PubChem CID 107025186) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
PubChem CID107025186
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11-5-6-13(19)9-14(11)15(18)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyPTRXPDLJXVEZHY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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

2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
N-(1-ethoxypropan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 107027091
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
2-hydrazinyl-5-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62511679
4-amino-6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide (CID 107025186) is 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NC(C)CN1CCCC1.
What is the InChIKey of 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The InChIKey is PTRXPDLJXVEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-5-6-13(19)9-14(11)15(18)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide has a molecular weight of 278.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107025186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).