[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine

C10H20N2O3S — CID 62061454

IUPAC[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C10H20N2O3S/c11-7-9-1-4-12(8-9)16(13,14)10-2-5-15-6-3-10/h9-10H,1-8,11H2
InChIKeyQERLKRDHEDNJRU-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.22
Rot. Bonds3

About [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine

[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 62061454) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID62061454
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C10H20N2O3S/c11-7-9-1-4-12(8-9)16(13,14)10-2-5-15-6-3-10/h9-10H,1-8,11H2
InChIKeyQERLKRDHEDNJRU-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1-butanesulfonamide
CID 91923058
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide
CID 127458683
N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210456
N-[[(3R)-1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210868
N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 55119441
N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 55139077
N-methyl-1-[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
CID 55167517
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 55174695
N-(oxan-4-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55225881
[1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine
CID 55226095
3-[1-(Oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 55241789

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine (CID 62061454) is [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is QERLKRDHEDNJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-7-9-1-4-12(8-9)16(13,14)10-2-5-15-6-3-10/h9-10H,1-8,11H2.
What are the key properties of [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62061454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).