N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide

C15H24FN3O2S2 — CID 128578817

IUPACN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H24FN3O2S2/c1-11-14(22-10-17-11)9-19-7-12(16)6-13(19)8-18(3)23(20,21)15(2)4-5-15/h10,12-13H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLUNYUQBWCMPCCM-STQMWFEESA-N
MW361.51 g/mol
LogP2.18
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide (PubChem CID 128578817) has the molecular formula C15H24FN3O2S2 and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide
PubChem CID128578817
Molecular FormulaC15H24FN3O2S2
Molecular Weight361.51 g/mol
Exact Mass361.13
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H24FN3O2S2/c1-11-14(22-10-17-11)9-19-7-12(16)6-13(19)8-18(3)23(20,21)15(2)4-5-15/h10,12-13H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLUNYUQBWCMPCCM-STQMWFEESA-N
XLogP2.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide (CID 128578817) is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)S(=O)(=O)C1(C)CC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide?
The InChIKey is LUNYUQBWCMPCCM-STQMWFEESA-N. The full InChI is InChI=1S/C15H24FN3O2S2/c1-11-14(22-10-17-11)9-19-7-12(16)6-13(19)8-18(3)23(20,21)15(2)4-5-15/h10,12-13H,4-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide?
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,1-dimethylcyclopropane-1-sulfonamide is sourced from PubChem (CID 128578817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).