3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C12H25N3O2S — CID 72927284

IUPAC3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H25N3O2S/c1-14(2)18(16,17)7-3-6-15-8-11(10-4-5-10)12(13)9-15/h10-12H,3-9,13H2,1-2H3/t11-,12+/m1/s1
InChIKeySABCGBSHUXXDAM-NEPJUHHUSA-N
MW275.42 g/mol
LogP-0.06
Rot. Bonds6

About 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 72927284) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID72927284
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H25N3O2S/c1-14(2)18(16,17)7-3-6-15-8-11(10-4-5-10)12(13)9-15/h10-12H,3-9,13H2,1-2H3/t11-,12+/m1/s1
InChIKeySABCGBSHUXXDAM-NEPJUHHUSA-N
XLogP-0.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 72927284) is 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is SABCGBSHUXXDAM-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-14(2)18(16,17)7-3-6-15-8-11(10-4-5-10)12(13)9-15/h10-12H,3-9,13H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 72927284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).