(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine

C9H18N2O3S — CID 100627309

IUPAC(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)9-2-1-5-14-7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyGPDPQODCLNOEEW-DTWKUNHWSA-N
MW234.32 g/mol
LogP-0.47
Rot. Bonds2

About (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine

(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine (PubChem CID 100627309) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
PubChem CID100627309
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)9-2-1-5-14-7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyGPDPQODCLNOEEW-DTWKUNHWSA-N
XLogP-0.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875403
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
1-cyclopentylsulfonylazetidin-3-amine
CID 105361409
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129461062
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine (CID 100627309) is (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine is N[C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1.
What is the InChIKey of (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine?
The InChIKey is GPDPQODCLNOEEW-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)9-2-1-5-14-7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1.
What are the key properties of (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine?
(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine has a molecular weight of 234.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 100627309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).