[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate

C13H28N2O5S — CID 121481056

IUPAC[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OC[C@H](CNS(C)(=O)=O)OC(C)C
InChIInChI=1S/C13H28N2O5S/c1-6-10(4)12(14)13(16)19-8-11(20-9(2)3)7-15-21(5,17)18/h9-12,15H,6-8,14H2,1-5H3/t10-,11-,12-/m0/s1
InChIKeyAUYMUOPGCCNZDU-SRVKXCTJSA-N
MW324.44 g/mol
LogP0.25
Rot. Bonds10

About [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate

[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 121481056) has the molecular formula C13H28N2O5S and a molecular weight of 324.44 g/mol. Its IUPAC name is [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
PubChem CID121481056
Molecular FormulaC13H28N2O5S
Molecular Weight324.44 g/mol
Exact Mass324.17
IUPAC Name[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OC[C@H](CNS(C)(=O)=O)OC(C)C
InChIInChI=1S/C13H28N2O5S/c1-6-10(4)12(14)13(16)19-8-11(20-9(2)3)7-15-21(5,17)18/h9-12,15H,6-8,14H2,1-5H3/t10-,11-,12-/m0/s1
InChIKeyAUYMUOPGCCNZDU-SRVKXCTJSA-N
XLogP0.25
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
CID 118241736
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate
CID 70811775
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481121
[(2S)-3-(methanesulfonamido)-2-[(2S)-3,3,5-trimethylhexan-2-yl]oxypropyl] 2-(dimethylamino)acetate
CID 118241888
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
(2S)-2-amino-3-methylpentanamide
CID 10290817
2,2,2-trifluoroethyl (2S,3S)-2-amino-3-methylpentanoate
CID 15170730
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate (CID 121481056) is [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OC[C@H](CNS(C)(=O)=O)OC(C)C.
What is the InChIKey of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is AUYMUOPGCCNZDU-SRVKXCTJSA-N. The full InChI is InChI=1S/C13H28N2O5S/c1-6-10(4)12(14)13(16)19-8-11(20-9(2)3)7-15-21(5,17)18/h9-12,15H,6-8,14H2,1-5H3/t10-,11-,12-/m0/s1.
What are the key properties of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate?
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 324.44 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 121481056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).