N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide

C11H15ClN2OS — CID 104872927

IUPACN-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N[C@H](C)CN)c1
InChIInChI=1S/C11H15ClN2OS/c1-7(6-13)14-11(15)9-5-8(16-2)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyDVRCLYKBERCFEU-SSDOTTSWSA-N
MW258.77 g/mol
LogP2.14
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide

N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide (PubChem CID 104872927) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
PubChem CID104872927
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N[C@H](C)CN)c1
InChIInChI=1S/C11H15ClN2OS/c1-7(6-13)14-11(15)9-5-8(16-2)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyDVRCLYKBERCFEU-SSDOTTSWSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 65191370
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
4-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid
CID 43240153
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide (CID 104872927) is N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)N[C@H](C)CN)c1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is DVRCLYKBERCFEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(6-13)14-11(15)9-5-8(16-2)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide?
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 258.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 104872927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).