1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine

C9H19NO4S — CID 107508896

IUPAC1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
SMILESCOCC(N)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO4S/c1-13-5-8(10)6-15(11,12)7-9-3-2-4-14-9/h8-9H,2-7,10H2,1H3
InChIKeyPQRCZXZQRWTREE-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.45
Rot. Bonds6

About 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine

1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine (PubChem CID 107508896) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
PubChem CID107508896
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
SMILESCOCC(N)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO4S/c1-13-5-8(10)6-15(11,12)7-9-3-2-4-14-9/h8-9H,2-7,10H2,1H3
InChIKeyPQRCZXZQRWTREE-UHFFFAOYSA-N
XLogP-0.45
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
CID 106493743
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
CID 106493730
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
CID 106493674
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine (CID 107508896) is 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine is COCC(N)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The InChIKey is PQRCZXZQRWTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-13-5-8(10)6-15(11,12)7-9-3-2-4-14-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine has a molecular weight of 237.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine is sourced from PubChem (CID 107508896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).