N-methyl-3-(thiolan-3-ylmethylamino)benzamide

C13H18N2OS — CID 107131272

IUPACN-methyl-3-(thiolan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cccc(NCC2CCSC2)c1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)11-3-2-4-12(7-11)15-8-10-5-6-17-9-10/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyJYWZCBGVIFGCEE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-3-(thiolan-3-ylmethylamino)benzamide

N-methyl-3-(thiolan-3-ylmethylamino)benzamide (PubChem CID 107131272) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-3-(thiolan-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(thiolan-3-ylmethylamino)benzamide
PubChem CID107131272
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-3-(thiolan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cccc(NCC2CCSC2)c1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)11-3-2-4-12(7-11)15-8-10-5-6-17-9-10/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyJYWZCBGVIFGCEE-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(thiolan-3-ylmethylamino)benzoate
CID 107131380
3-propan-2-yl-N-(thiolan-3-ylmethyl)aniline
CID 107131296
3-(2-methoxyethoxy)-N-(thiolan-3-ylmethyl)aniline
CID 107131858
3-ethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131230
N-methyl-3-(thian-3-ylamino)benzamide
CID 55129966
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131586
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
4-(thiolan-3-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 107298324
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(thiolan-3-ylmethylamino)benzamide?
The IUPAC name of N-methyl-3-(thiolan-3-ylmethylamino)benzamide (CID 107131272) is N-methyl-3-(thiolan-3-ylmethylamino)benzamide.
What is the SMILES notation for N-methyl-3-(thiolan-3-ylmethylamino)benzamide?
The canonical SMILES for N-methyl-3-(thiolan-3-ylmethylamino)benzamide is CNC(=O)c1cccc(NCC2CCSC2)c1.
What is the InChIKey of N-methyl-3-(thiolan-3-ylmethylamino)benzamide?
The InChIKey is JYWZCBGVIFGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-13(16)11-3-2-4-12(7-11)15-8-10-5-6-17-9-10/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of N-methyl-3-(thiolan-3-ylmethylamino)benzamide?
N-methyl-3-(thiolan-3-ylmethylamino)benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(thiolan-3-ylmethylamino)benzamide is sourced from PubChem (CID 107131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).