N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide

C12H25N3O3S — CID 43597213

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)14-11-5-13-6-12(11)18-3/h9-14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyNZQKIARMIYSMFR-ROAFRPBMSA-N
MW291.42 g/mol
LogP-0.21
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43597213) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43597213
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)14-11-5-13-6-12(11)18-3/h9-14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyNZQKIARMIYSMFR-ROAFRPBMSA-N
XLogP-0.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide (CID 43597213) is N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is NZQKIARMIYSMFR-ROAFRPBMSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)14-11-5-13-6-12(11)18-3/h9-14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43597213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).