N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide

C12H20N2OS — CID 79201552

IUPACN,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCNCC(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C12H20N2OS/c1-9-5-6-16-11(9)8-14(4)12(15)10(2)7-13-3/h5-6,10,13H,7-8H2,1-4H3
InChIKeyDNVURAKCIMNAEP-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.87
Rot. Bonds5

About N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide

N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 79201552) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID79201552
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCNCC(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C12H20N2OS/c1-9-5-6-16-11(9)8-14(4)12(15)10(2)7-13-3/h5-6,10,13H,7-8H2,1-4H3
InChIKeyDNVURAKCIMNAEP-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62729258
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252887
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
N-[3-hydroxy-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 86785000
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55826474

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 79201552) is N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide is CNCC(C)C(=O)N(C)Cc1sccc1C.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is DNVURAKCIMNAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-5-6-16-11(9)8-14(4)12(15)10(2)7-13-3/h5-6,10,13H,7-8H2,1-4H3.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 240.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 79201552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).