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

C16H24N2OS — CID 119575760

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2OS/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)
InChIKeyYPXDTWIMNLCXSL-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.04
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 119575760) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
PubChem CID119575760
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2OS/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)
InChIKeyYPXDTWIMNLCXSL-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide (CID 119575760) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is YPXDTWIMNLCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/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).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 292.45 g/mol, XLogP of 3.04, 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 is sourced from PubChem (CID 119575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).