1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine

C9H18N2O3S — CID 62068599

IUPAC1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-1-4-11(7-8)15(12,13)9-2-5-14-6-3-9/h8-9H,1-7,10H2
InChIKeyLMCHBFSZEQFNCT-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.47
Rot. Bonds2

About 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine

1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine (PubChem CID 62068599) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine
PubChem CID62068599
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C9H18N2O3S/c10-8-1-4-11(7-8)15(12,13)9-2-5-14-6-3-9/h8-9H,1-7,10H2
InChIKeyLMCHBFSZEQFNCT-UHFFFAOYSA-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

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-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
CID 75510917
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide
CID 127458683
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 63246231
1-(Oxane-4-sulfonyl)piperidin-4-amine
CID 53605233
N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972383
N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide
CID 55031294
N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide
CID 55031616
[1-(Oxan-4-ylsulfonyl)piperidin-2-yl]methanamine
CID 55031618

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine (CID 62068599) is 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine is NC1CCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine?
The InChIKey is LMCHBFSZEQFNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c10-8-1-4-11(7-8)15(12,13)9-2-5-14-6-3-9/h8-9H,1-7,10H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine?
1-(oxan-4-ylsulfonyl)pyrrolidin-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 1-(oxan-4-ylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 62068599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).