N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide

C14H22N2OS — CID 107026861

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C14H22N2OS/c1-10-6-7-11(18)8-12(10)13(17)15-9-14(2,3)16(4)5/h6-8,18H,9H2,1-5H3,(H,15,17)
InChIKeyCDRUFLOCPQECAE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide

N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide (PubChem CID 107026861) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
PubChem CID107026861
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C14H22N2OS/c1-10-6-7-11(18)8-12(10)13(17)15-9-14(2,3)16(4)5/h6-8,18H,9H2,1-5H3,(H,15,17)
InChIKeyCDRUFLOCPQECAE-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107033291
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
4-bromo-N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylbenzamide
CID 107026858
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
2-methyl-N-(2-methylsulfanylpropyl)-5-sulfanylbenzamide
CID 107035141

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide (CID 107026861) is N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide?
The InChIKey is CDRUFLOCPQECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-6-7-11(18)8-12(10)13(17)15-9-14(2,3)16(4)5/h6-8,18H,9H2,1-5H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide?
N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107026861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).