(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide

C15H20ClN3OS — CID 119280242

IUPAC(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN3OS/c1-21-7-5-13(17)15(20)18-6-4-10-9-19-14-3-2-11(16)8-12(10)14/h2-3,8-9,13,19H,4-7,17H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyHUAZEKCIGPOGFF-ZDUSSCGKSA-N
MW325.87 g/mol
LogP2.56
Rot. Bonds7

About (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 119280242) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
PubChem CID119280242
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN3OS/c1-21-7-5-13(17)15(20)18-6-4-10-9-19-14-3-2-11(16)8-12(10)14/h2-3,8-9,13,19H,4-7,17H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyHUAZEKCIGPOGFF-ZDUSSCGKSA-N
XLogP2.56
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide (CID 119280242) is (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is HUAZEKCIGPOGFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-21-7-5-13(17)15(20)18-6-4-10-9-19-14-3-2-11(16)8-12(10)14/h2-3,8-9,13,19H,4-7,17H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 325.87 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119280242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).