N,N-dimethyl-2-(thian-4-ylamino)benzamide

C14H20N2OS — CID 43738379

IUPACN,N-dimethyl-2-(thian-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCSCC1
InChIInChI=1S/C14H20N2OS/c1-16(2)14(17)12-5-3-4-6-13(12)15-11-7-9-18-10-8-11/h3-6,11,15H,7-10H2,1-2H3
InChIKeyLMTPVICISZUJKT-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.70
Rot. Bonds3

About N,N-dimethyl-2-(thian-4-ylamino)benzamide

N,N-dimethyl-2-(thian-4-ylamino)benzamide (PubChem CID 43738379) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(thian-4-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(thian-4-ylamino)benzamide
PubChem CID43738379
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN,N-dimethyl-2-(thian-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCSCC1
InChIInChI=1S/C14H20N2OS/c1-16(2)14(17)12-5-3-4-6-13(12)15-11-7-9-18-10-8-11/h3-6,11,15H,7-10H2,1-2H3
InChIKeyLMTPVICISZUJKT-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

2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
CID 84593860
N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
CID 79731257
2-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79462007
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
methyl 2-(cyclopropylamino)benzoate
CID 83697867
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N,N-dimethylbenzamide
CID 60867156
2-(cyclopropylamino)benzamide
CID 119089293
2-formamido-N,N-dimethylbenzamide
CID 64992505
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(thian-4-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-2-(thian-4-ylamino)benzamide (CID 43738379) is N,N-dimethyl-2-(thian-4-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(thian-4-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-2-(thian-4-ylamino)benzamide is CN(C)C(=O)c1ccccc1NC1CCSCC1.
What is the InChIKey of N,N-dimethyl-2-(thian-4-ylamino)benzamide?
The InChIKey is LMTPVICISZUJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(2)14(17)12-5-3-4-6-13(12)15-11-7-9-18-10-8-11/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(thian-4-ylamino)benzamide?
N,N-dimethyl-2-(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-2-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43738379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).