N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide

C10H13ClN2OS — CID 61379070

IUPACN-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCN)c1
InChIInChI=1S/C10H13ClN2OS/c1-15-7-2-3-9(11)8(6-7)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJQSVYFDFOHNTIL-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.75
Rot. Bonds4

About N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide

N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 61379070) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID61379070
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCN)c1
InChIInChI=1S/C10H13ClN2OS/c1-15-7-2-3-9(11)8(6-7)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJQSVYFDFOHNTIL-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
2-chloro-5-methylsulfanyl-N-[(E)-pent-3-enyl]benzamide
CID 113236475
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
CID 106157274
N-[3-(2-bromoethoxy)propyl]-2-chloro-5-methylsulfanylbenzamide
CID 114171426
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide (CID 61379070) is N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is JQSVYFDFOHNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-15-7-2-3-9(11)8(6-7)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide?
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 244.75 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 61379070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).