2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine

C8H17NO3S — CID 60921048

IUPAC2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCC1CCOC1
InChIInChI=1S/C8H17NO3S/c1-13(10,11)5-3-9-6-8-2-4-12-7-8/h8-9H,2-7H2,1H3
InChIKeyJCGWPUFZUJAWGO-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.34
Rot. Bonds5

About 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine

2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60921048) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60921048
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCC1CCOC1
InChIInChI=1S/C8H17NO3S/c1-13(10,11)5-3-9-6-8-2-4-12-7-8/h8-9H,2-7H2,1H3
InChIKeyJCGWPUFZUJAWGO-UHFFFAOYSA-N
XLogP-0.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033196
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962132
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
4-(Methoxymethyl)-2-methylsulfonylpyrrolidine
CID 174771403
1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
CID 43191002
2-(Oxolan-3-ylmethylamino)ethanesulfonamide
CID 43551821
1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine
CID 43615101
3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
CID 43679914
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 54955933
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55106737
N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55119442
N-[[3-(2-ethoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55209602

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine (CID 60921048) is 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine is CS(=O)(=O)CCNCC1CCOC1.
What is the InChIKey of 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is JCGWPUFZUJAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(10,11)5-3-9-6-8-2-4-12-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine?
2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 207.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60921048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).