N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide

C11H25N3O2S — CID 91922807

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C11H25N3O2S/c1-5-6-17(15,16)12-11-9-14(4)8-10(11)7-13(2)3/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyGZORJIKRVYOBHH-GHMZBOCLSA-N
MW263.41 g/mol
LogP-0.19
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 91922807) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID91922807
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C11H25N3O2S/c1-5-6-17(15,16)12-11-9-14(4)8-10(11)7-13(2)3/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyGZORJIKRVYOBHH-GHMZBOCLSA-N
XLogP-0.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide (CID 91922807) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is GZORJIKRVYOBHH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-5-6-17(15,16)12-11-9-14(4)8-10(11)7-13(2)3/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 91922807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).