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

C9H19NO3S — CID 81202083

IUPAC2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(5-10)6-14(11,12)7-9-3-2-4-13-9/h8-9H,2-7,10H2,1H3
InChIKeySQNBHYMZULJGKQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.17
Rot. Bonds5

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

2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine (PubChem CID 81202083) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
PubChem CID81202083
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(5-10)6-14(11,12)7-9-3-2-4-13-9/h8-9H,2-7,10H2,1H3
InChIKeySQNBHYMZULJGKQ-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 107508896
2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
CID 102903038
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
CID 106493743
2-[(5-bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
CID 106493730
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
N-(1-aminopropan-2-yl)-N-methyl-1-(oxan-2-yl)methanesulfonamide
CID 119982374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine (CID 81202083) is 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine?
The InChIKey is SQNBHYMZULJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(5-10)6-14(11,12)7-9-3-2-4-13-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine?
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81202083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).