(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine

C9H18N2O3S — CID 115301823

IUPAC(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)7-9-2-1-5-14-9/h8-9H,1-7,10H2/t8-,9?/m1/s1
InChIKeySGKBEBMXKFVSAX-VEDVMXKPSA-N
MW234.32 g/mol
LogP-0.47
Rot. Bonds3

About (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine

(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine (PubChem CID 115301823) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
PubChem CID115301823
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)7-9-2-1-5-14-9/h8-9H,1-7,10H2/t8-,9?/m1/s1
InChIKeySGKBEBMXKFVSAX-VEDVMXKPSA-N
XLogP-0.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
CID 79674681
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine (CID 115301823) is (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)CC2CCCO2)C1.
What is the InChIKey of (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The InChIKey is SGKBEBMXKFVSAX-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18N2O3S/c10-8-3-4-11(6-8)15(12,13)7-9-2-1-5-14-9/h8-9H,1-7,10H2/t8-,9?/m1/s1.
What are the key properties of (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine?
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine has a molecular weight of 234.32 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 115301823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).