N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride

C16H25ClN2OS — CID 119575759

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11(2)20-14-8-4-12(5-9-14)15(19)18-16(3,10-17)13-6-7-13;/h4-5,8-9,11,13H,6-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyFRNPDDHBRLUTGU-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.47
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride (PubChem CID 119575759) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
PubChem CID119575759
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11(2)20-14-8-4-12(5-9-14)15(19)18-16(3,10-17)13-6-7-13;/h4-5,8-9,11,13H,6-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyFRNPDDHBRLUTGU-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 119575760
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride (CID 119575759) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride is CC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The InChIKey is FRNPDDHBRLUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-11(2)20-14-8-4-12(5-9-14)15(19)18-16(3,10-17)13-6-7-13;/h4-5,8-9,11,13H,6-7,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119575759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).