(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide

C10H20N2OS2 — CID 104908776

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCC1CCCS1
InChIInChI=1S/C10H20N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyDEQSCBLXRNPKRV-YGPZHTELSA-N
MW248.42 g/mol
LogP1.08
Rot. Bonds6

About (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide (PubChem CID 104908776) has the molecular formula C10H20N2OS2 and a molecular weight of 248.42 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide
PubChem CID104908776
Molecular FormulaC10H20N2OS2
Molecular Weight248.42 g/mol
Exact Mass248.10
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCC1CCCS1
InChIInChI=1S/C10H20N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyDEQSCBLXRNPKRV-YGPZHTELSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
(2R)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908284
(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2R)-2-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylsulfanylbutanamide
CID 104908311
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide (CID 104908776) is (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide is CSCC[C@@H](N)C(=O)NCC1CCCS1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide?
The InChIKey is DEQSCBLXRNPKRV-YGPZHTELSA-N. The full InChI is InChI=1S/C10H20N2OS2/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide has a molecular weight of 248.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide is sourced from PubChem (CID 104908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).