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

C13H23N3O2S2 — CID 95218893

IUPACN-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1csc(CN2CC[C@H](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/t11-/m1/s1
InChIKeyMSNSFTCRJDEQRQ-LLVKDONJSA-N
MW317.48 g/mol
LogP1.64
Rot. Bonds6

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

N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 95218893) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID95218893
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1csc(CN2CC[C@H](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/t11-/m1/s1
InChIKeyMSNSFTCRJDEQRQ-LLVKDONJSA-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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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
CID 53625379
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
CID 71869004
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986802
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
N'-{(3S*,4R*)-4-isopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72868098
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 47146723
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 53591315
1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 86789760
N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 97979510
N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide
CID 100765479

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 95218893) is N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is CC(C)c1csc(CN2CC[C@H](CNS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MSNSFTCRJDEQRQ-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-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-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95218893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).