N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

C11H19N3O2S2 — CID 106049173

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1nc(CCNS(=O)(=O)CC2CCCN2)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9-14-10(7-17-9)4-6-13-18(15,16)8-11-3-2-5-12-11/h7,11-13H,2-6,8H2,1H3
InChIKeyTVWLOUWIDUTWMY-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.67
Rot. Bonds6

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 106049173) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID106049173
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1nc(CCNS(=O)(=O)CC2CCCN2)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9-14-10(7-17-9)4-6-13-18(15,16)8-11-3-2-5-12-11/h7,11-13H,2-6,8H2,1H3
InChIKeyTVWLOUWIDUTWMY-UHFFFAOYSA-N
XLogP0.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-sulfonamide
CID 106049183
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972563

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 106049173) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is Cc1nc(CCNS(=O)(=O)CC2CCCN2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is TVWLOUWIDUTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-14-10(7-17-9)4-6-13-18(15,16)8-11-3-2-5-12-11/h7,11-13H,2-6,8H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 289.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 106049173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).