N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide

C14H20N2OS2 — CID 119582994

IUPACN-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C14H20N2OS2/c1-10(9-15)16(2)13(17)11-3-5-12(6-4-11)14-18-7-8-19-14/h3-6,10,14H,7-9,15H2,1-2H3
InChIKeySKFNLMRSFXGNJU-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.58
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide (PubChem CID 119582994) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
PubChem CID119582994
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC NameN-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C14H20N2OS2/c1-10(9-15)16(2)13(17)11-3-5-12(6-4-11)14-18-7-8-19-14/h3-6,10,14H,7-9,15H2,1-2H3
InChIKeySKFNLMRSFXGNJU-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-[1-(2,5-difluorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 78852350
N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 86981262
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide
CID 86977726
4-(1,3-dithiolan-2-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972240
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 9457015
N-(1-aminopropan-2-yl)-4-(cyclohexylmethoxy)-N-methylbenzamide;hydrochloride
CID 119584659
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide (CID 119582994) is N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide is CC(CN)N(C)C(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide?
The InChIKey is SKFNLMRSFXGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-10(9-15)16(2)13(17)11-3-5-12(6-4-11)14-18-7-8-19-14/h3-6,10,14H,7-9,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide has a molecular weight of 296.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 119582994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).