N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide

C14H22N2OS — CID 107025299

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccccc1S
InChIInChI=1S/C14H22N2OS/c1-10(2)12(9-16(3)4)15-14(17)11-7-5-6-8-13(11)18/h5-8,10,12,18H,9H2,1-4H3,(H,15,17)
InChIKeyBQNRARUMXDEPNS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide (PubChem CID 107025299) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
PubChem CID107025299
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccccc1S
InChIInChI=1S/C14H22N2OS/c1-10(2)12(9-16(3)4)15-14(17)11-7-5-6-8-13(11)18/h5-8,10,12,18H,9H2,1-4H3,(H,15,17)
InChIKeyBQNRARUMXDEPNS-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.29
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-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
CID 62175664
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 81442678
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-(methylamino)pyridine-2-carboxamide
CID 62239858
N-(4-hydroxy-3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107035471
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-nitrobenzamide
CID 62159589

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide (CID 107025299) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide is CC(C)C(CN(C)C)NC(=O)c1ccccc1S.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide?
The InChIKey is BQNRARUMXDEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)12(9-16(3)4)15-14(17)11-7-5-6-8-13(11)18/h5-8,10,12,18H,9H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 107025299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).