N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide

C10H21N3O2S — CID 98775179

IUPACN-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESC[C@H]1CN(C)C[C@H]1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-9-7-12(2)8-10(9)11-16(14,15)13-5-3-4-6-13/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyYSPAKYFXOOJNIR-VHSXEESVSA-N
MW247.36 g/mol
LogP-0.13
Rot. Bonds3

About N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide

N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 98775179) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID98775179
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESC[C@H]1CN(C)C[C@H]1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-9-7-12(2)8-10(9)11-16(14,15)13-5-3-4-6-13/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyYSPAKYFXOOJNIR-VHSXEESVSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide (CID 98775179) is N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide is C[C@H]1CN(C)C[C@H]1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is YSPAKYFXOOJNIR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9-7-12(2)8-10(9)11-16(14,15)13-5-3-4-6-13/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 98775179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).