2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide

C14H19ClN2OS — CID 107131586

IUPAC2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1cc(NCC2CCSC2)ccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-17(2)14(18)12-7-11(3-4-13(12)15)16-8-10-5-6-19-9-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyGMNJUAXMTPKGOD-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide

2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide (PubChem CID 107131586) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
PubChem CID107131586
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1cc(NCC2CCSC2)ccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-17(2)14(18)12-7-11(3-4-13(12)15)16-8-10-5-6-19-9-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyGMNJUAXMTPKGOD-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131863
4-chloro-3-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107268141
2-chloro-5-[(4,4-dimethylthian-3-yl)amino]-N,N-dimethylbenzamide
CID 79954819
4-(thiolan-3-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 107298324
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308
methyl 3-(thiolan-3-ylmethylamino)benzoate
CID 107131380
N-methyl-3-(thiolan-3-ylmethylamino)benzamide
CID 107131272
N,N-dimethyl-3-nitro-4-(thiolan-3-ylmethylamino)benzamide
CID 107296627
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide (CID 107131586) is 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide is CN(C)C(=O)c1cc(NCC2CCSC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide?
The InChIKey is GMNJUAXMTPKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-17(2)14(18)12-7-11(3-4-13(12)15)16-8-10-5-6-19-9-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide?
2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide has a molecular weight of 298.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide is sourced from PubChem (CID 107131586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).