(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide

C11H21N3O2S — CID 113345692

IUPAC(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1CCSC1
InChIInChI=1S/C11H21N3O2S/c1-7(2)10(12)11(16)13-5-9(15)14-8-3-4-17-6-8/h7-8,10H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1
InChIKeyAMHUYSYKSKRMAE-HTLJXXAVSA-N
MW259.37 g/mol
LogP-0.29
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide (PubChem CID 113345692) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
PubChem CID113345692
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1CCSC1
InChIInChI=1S/C11H21N3O2S/c1-7(2)10(12)11(16)13-5-9(15)14-8-3-4-17-6-8/h7-8,10H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1
InChIKeyAMHUYSYKSKRMAE-HTLJXXAVSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82961708
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
(2S)-2-amino-N-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82964536
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide (CID 113345692) is (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)NC1CCSC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide?
The InChIKey is AMHUYSYKSKRMAE-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-7(2)10(12)11(16)13-5-9(15)14-8-3-4-17-6-8/h7-8,10H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide has a molecular weight of 259.37 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide is sourced from PubChem (CID 113345692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).