(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

C11H19N3O3S2 — CID 98314597

IUPAC(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S2/c1-8-7-18-10(13-8)5-4-6-12-11(15)9(2)14-19(3,16)17/h7,9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m1/s1
InChIKeyDYFCUANBDJDXJB-SECBINFHSA-N
MW305.43 g/mol
LogP0.44
Rot. Bonds7

About (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 98314597) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID98314597
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S2/c1-8-7-18-10(13-8)5-4-6-12-11(15)9(2)14-19(3,16)17/h7,9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m1/s1
InChIKeyDYFCUANBDJDXJB-SECBINFHSA-N
XLogP0.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
CID 91840007
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 110440601
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 98314597) is (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is Cc1csc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1.
What is the InChIKey of (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is DYFCUANBDJDXJB-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-8-7-18-10(13-8)5-4-6-12-11(15)9(2)14-19(3,16)17/h7,9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 305.43 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 98314597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).