(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

C10H16N2OS2 — CID 22690032

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C10H16N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h2-3,5,9H,4,6-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPNQHOKFCGUOSMR-VIFPVBQESA-N
MW244.38 g/mol
LogP1.44
Rot. Bonds6

About (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 22690032) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID22690032
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C10H16N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h2-3,5,9H,4,6-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPNQHOKFCGUOSMR-VIFPVBQESA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
CID 119342335
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
CID 70869921
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
CID 104909117
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-thiophen-2-ylpropanoic acid
CID 61179534
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylsulfanylbutanamide
CID 61211160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (CID 22690032) is (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is CSCC[C@H](N)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is PNQHOKFCGUOSMR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h2-3,5,9H,4,6-7,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 22690032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).