(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide

C11H19N3O3S2 — CID 95330099

IUPAC(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
SMILESCC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)/N=c1\sccn1C
InChIInChI=1S/C11H19N3O3S2/c1-5-8(2)9(13-19(4,16)17)10(15)12-11-14(3)6-7-18-11/h6-9,13H,5H2,1-4H3/b12-11-/t8-,9+/m1/s1
InChIKeyUFFDOITUDDMWBK-OWAWGWNRSA-N
MW305.43 g/mol
LogP0.48
Rot. Bonds5

About (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide

(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide (PubChem CID 95330099) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
PubChem CID95330099
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
SMILESCC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)/N=c1\sccn1C
InChIInChI=1S/C11H19N3O3S2/c1-5-8(2)9(13-19(4,16)17)10(15)12-11-14(3)6-7-18-11/h6-9,13H,5H2,1-4H3/b12-11-/t8-,9+/m1/s1
InChIKeyUFFDOITUDDMWBK-OWAWGWNRSA-N
XLogP0.48
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 53607507
(2S,3S)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 95330100
(2R,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 95330101
(2R,3S)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 95330102
2-amino-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride
CID 119822761
2-amino-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 119822762
(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride
CID 119822773
(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
CID 119822774

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The IUPAC name of (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide (CID 95330099) is (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide.
What is the SMILES notation for (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The canonical SMILES for (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide is CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)/N=c1\sccn1C.
What is the InChIKey of (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The InChIKey is UFFDOITUDDMWBK-OWAWGWNRSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-5-8(2)9(13-19(4,16)17)10(15)12-11-14(3)6-7-18-11/h6-9,13H,5H2,1-4H3/b12-11-/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
(2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide has a molecular weight of 305.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methanesulfonamido)-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide is sourced from PubChem (CID 95330099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).