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

C10H17N3O2S2 — CID 63825222

IUPAC1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCc1cscn1
InChIInChI=1S/C10H17N3O2S2/c14-17(15,7-10-2-1-4-11-10)13-5-3-9-6-16-8-12-9/h6,8,10-11,13H,1-5,7H2
InChIKeyZTLQMWUGTJEEME-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.36
Rot. Bonds6

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

1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide (PubChem CID 63825222) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
PubChem CID63825222
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCc1cscn1
InChIInChI=1S/C10H17N3O2S2/c14-17(15,7-10-2-1-4-11-10)13-5-3-9-6-16-8-12-9/h6,8,10-11,13H,1-5,7H2
InChIKeyZTLQMWUGTJEEME-UHFFFAOYSA-N
XLogP0.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 107855920

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide (CID 63825222) is 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide is O=S(=O)(CC1CCCN1)NCCc1cscn1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is ZTLQMWUGTJEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c14-17(15,7-10-2-1-4-11-10)13-5-3-9-6-16-8-12-9/h6,8,10-11,13H,1-5,7H2.
What are the key properties of 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 275.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 63825222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).