1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

C9H15N3O2S2 — CID 63823783

IUPAC1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCc1cscn1
InChIInChI=1S/C9H15N3O2S2/c13-16(14,6-8-2-1-3-10-8)12-4-9-5-15-7-11-9/h5,7-8,10,12H,1-4,6H2
InChIKeySKRSZJVGYQLXTF-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.31
Rot. Bonds5

About 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (PubChem CID 63823783) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
PubChem CID63823783
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCc1cscn1
InChIInChI=1S/C9H15N3O2S2/c13-16(14,6-8-2-1-3-10-8)12-4-9-5-15-7-11-9/h5,7-8,10,12H,1-4,6H2
InChIKeySKRSZJVGYQLXTF-UHFFFAOYSA-N
XLogP0.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.31
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
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-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823756
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79242493
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972563

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (CID 63823783) is 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCN1)NCc1cscn1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The InChIKey is SKRSZJVGYQLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c13-16(14,6-8-2-1-3-10-8)12-4-9-5-15-7-11-9/h5,7-8,10,12H,1-4,6H2.
What are the key properties of 1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide has a molecular weight of 261.37 g/mol, XLogP of 0.31, 5 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-(1,3-thiazol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63823783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).