N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide

C16H24N2OS — CID 63210524

IUPACN,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCSC2)cc1C
InChIInChI=1S/C16H24N2OS/c1-4-8-17-15-6-5-13(10-12(15)2)16(19)18(3)14-7-9-20-11-14/h5-6,10,14,17H,4,7-9,11H2,1-3H3
InChIKeyMXINNWGSJJBMAW-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.39
Rot. Bonds5

About N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide

N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide (PubChem CID 63210524) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
PubChem CID63210524
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCSC2)cc1C
InChIInChI=1S/C16H24N2OS/c1-4-8-17-15-6-5-13(10-12(15)2)16(19)18(3)14-7-9-20-11-14/h5-6,10,14,17H,4,7-9,11H2,1-3H3
InChIKeyMXINNWGSJJBMAW-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
CID 63212671
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298173
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
N,6-dimethyl-4-(propylamino)-N-(thiolan-3-yl)pyridine-3-carboxamide
CID 81236205
4-(ethylamino)-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide
CID 62168467
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide?
The IUPAC name of N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide (CID 63210524) is N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide is CCCNc1ccc(C(=O)N(C)C2CCSC2)cc1C.
What is the InChIKey of N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide?
The InChIKey is MXINNWGSJJBMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-8-17-15-6-5-13(10-12(15)2)16(19)18(3)14-7-9-20-11-14/h5-6,10,14,17H,4,7-9,11H2,1-3H3.
What are the key properties of N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide?
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 63210524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).