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

C13H23N3O2S2 — CID 56748526

IUPACN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1csc(CN2CCC(CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C13H23N3O2S2/c1-10(2)12-9-19-13(15-12)8-16-5-4-11(7-16)6-14-20(3,17)18/h9-11,14H,4-8H2,1-3H3
InChIKeyMSNSFTCRJDEQRQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.64
Rot. Bonds6

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

N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 56748526) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID56748526
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1csc(CN2CCC(CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C13H23N3O2S2/c1-10(2)12-9-19-13(15-12)8-16-5-4-11(7-16)6-14-20(3,17)18/h9-11,14H,4-8H2,1-3H3
InChIKeyMSNSFTCRJDEQRQ-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 56748526) is N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is CC(C)c1csc(CN2CCC(CNS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MSNSFTCRJDEQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-10(2)12-9-19-13(15-12)8-16-5-4-11(7-16)6-14-20(3,17)18/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56748526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).