3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide

C15H27N3O2S2 — CID 56793244

IUPAC3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H27N3O2S2/c1-15(2,3)7-11-22(19,20)16-8-6-13-12-21-14(17-13)18-9-4-5-10-18/h12,16H,4-11H2,1-3H3
InChIKeyBCXOODMAMNETRM-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.64
Rot. Bonds7

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

3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide (PubChem CID 56793244) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
PubChem CID56793244
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC Name3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H27N3O2S2/c1-15(2,3)7-11-22(19,20)16-8-6-13-12-21-14(17-13)18-9-4-5-10-18/h12,16H,4-11H2,1-3H3
InChIKeyBCXOODMAMNETRM-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide (CID 56793244) is 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide?
The InChIKey is BCXOODMAMNETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-15(2,3)7-11-22(19,20)16-8-6-13-12-21-14(17-13)18-9-4-5-10-18/h12,16H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide?
3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide has a molecular weight of 345.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 56793244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).