N,N-dimethyl-4-(thian-4-ylamino)benzamide

C14H20N2OS — CID 43682033

IUPACN,N-dimethyl-4-(thian-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-16(2)14(17)11-3-5-12(6-4-11)15-13-7-9-18-10-8-13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyMTBVKGKTVWRETK-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.70
Rot. Bonds3

About N,N-dimethyl-4-(thian-4-ylamino)benzamide

N,N-dimethyl-4-(thian-4-ylamino)benzamide (PubChem CID 43682033) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(thian-4-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(thian-4-ylamino)benzamide
PubChem CID43682033
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN,N-dimethyl-4-(thian-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-16(2)14(17)11-3-5-12(6-4-11)15-13-7-9-18-10-8-13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyMTBVKGKTVWRETK-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
N,N-dimethyl-2-(thian-4-ylamino)benzamide
CID 43738379
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
CID 43681991
N,N-diethyl-4-[[(3S)-thian-3-yl]amino]benzamide
CID 99836848
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
N,N-dimethyl-4-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81302611
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thian-4-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(thian-4-ylamino)benzamide (CID 43682033) is N,N-dimethyl-4-(thian-4-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(thian-4-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(thian-4-ylamino)benzamide is CN(C)C(=O)c1ccc(NC2CCSCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(thian-4-ylamino)benzamide?
The InChIKey is MTBVKGKTVWRETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(2)14(17)11-3-5-12(6-4-11)15-13-7-9-18-10-8-13/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(thian-4-ylamino)benzamide?
N,N-dimethyl-4-(thian-4-ylamino)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).