2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine

C11H23NO3S — CID 106512734

IUPAC2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCC(C)S(=O)(=O)CCNCC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-10(2)16(13,14)8-6-12-9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyVLESARHVICERDL-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds7

About 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine

2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 106512734) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID106512734
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCC(C)S(=O)(=O)CCNCC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-10(2)16(13,14)8-6-12-9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyVLESARHVICERDL-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
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

2-butan-2-ylsulfonyl-N-(cyclopentylmethyl)ethanamine
CID 106512704
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
2-(3-methylbutan-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107757225
2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63659784
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine (CID 106512734) is 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine is CCC(C)S(=O)(=O)CCNCC1CCCO1.
What is the InChIKey of 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is VLESARHVICERDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-10(2)16(13,14)8-6-12-9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 106512734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).