N-methyl-4-[(thian-4-ylamino)methyl]benzamide

C14H20N2OS — CID 43329353

IUPACN-methyl-4-[(thian-4-ylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)12-4-2-11(3-5-12)10-16-13-6-8-18-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,15,17)
InChIKeyNRRHJHQUSGSYGS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-4-[(thian-4-ylamino)methyl]benzamide

N-methyl-4-[(thian-4-ylamino)methyl]benzamide (PubChem CID 43329353) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-4-[(thian-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(thian-4-ylamino)methyl]benzamide
PubChem CID43329353
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-methyl-4-[(thian-4-ylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)12-4-2-11(3-5-12)10-16-13-6-8-18-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,15,17)
InChIKeyNRRHJHQUSGSYGS-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
4-[[(5,5-dimethylthian-3-yl)amino]methyl]-N-methylbenzamide
CID 79955054
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
CID 104588896
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(thian-4-ylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(thian-4-ylamino)methyl]benzamide (CID 43329353) is N-methyl-4-[(thian-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(thian-4-ylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(thian-4-ylamino)methyl]benzamide is CNC(=O)c1ccc(CNC2CCSCC2)cc1.
What is the InChIKey of N-methyl-4-[(thian-4-ylamino)methyl]benzamide?
The InChIKey is NRRHJHQUSGSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-14(17)12-4-2-11(3-5-12)10-16-13-6-8-18-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,15,17).
What are the key properties of N-methyl-4-[(thian-4-ylamino)methyl]benzamide?
N-methyl-4-[(thian-4-ylamino)methyl]benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(thian-4-ylamino)methyl]benzamide is sourced from PubChem (CID 43329353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).