2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine

C9H19NO3S — CID 107756995

IUPAC2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C9H19NO3S/c1-3-8(6-10)14(11,12)9-4-5-13-7(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyHYEACYPKDGMZIN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine

2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine (PubChem CID 107756995) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
PubChem CID107756995
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C9H19NO3S/c1-3-8(6-10)14(11,12)9-4-5-13-7(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyHYEACYPKDGMZIN-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
CID 107758142
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
CID 107766551
4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
CID 107764075
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
CID 107758086
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid
CID 107746531
1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059
N-ethyl-N,2-dimethyloxolane-3-sulfonamide
CID 130637229
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine (CID 107756995) is 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine is CCC(CN)S(=O)(=O)C1CCOC1C.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The InChIKey is HYEACYPKDGMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8(6-10)14(11,12)9-4-5-13-7(9)2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 107756995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).