(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide

C14H23N3OS — CID 104908153

IUPAC(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3OS/c1-17(12-6-4-3-5-7-12)10-9-16-14(18)13(15)8-11-19-2/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyKBGBFFLQPDYRHM-CYBMUJFWSA-N
MW281.43 g/mol
LogP1.32
Rot. Bonds8

About (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide (PubChem CID 104908153) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
PubChem CID104908153
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3OS/c1-17(12-6-4-3-5-7-12)10-9-16-14(18)13(15)8-11-19-2/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyKBGBFFLQPDYRHM-CYBMUJFWSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
CID 61148645
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
(2S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 70070653
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-methyl-N-phenylbenzamide;hydrochloride
CID 119284401
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide (CID 104908153) is (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is KBGBFFLQPDYRHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-17(12-6-4-3-5-7-12)10-9-16-14(18)13(15)8-11-19-2/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 281.43 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).