2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine

C11H23NO2S2 — CID 107166323

IUPAC2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCC1CCSC1
InChIInChI=1S/C11H23NO2S2/c1-11(2,3)16(13,14)7-5-12-8-10-4-6-15-9-10/h10,12H,4-9H2,1-3H3
InChIKeyXVUNCRXBQDFLKL-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.54
Rot. Bonds5

About 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine

2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166323) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166323
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCC1CCSC1
InChIInChI=1S/C11H23NO2S2/c1-11(2,3)16(13,14)7-5-12-8-10-4-6-15-9-10/h10,12H,4-9H2,1-3H3
InChIKeyXVUNCRXBQDFLKL-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.54
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

2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
CID 106724468
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
3-(2,2-dimethylpropyl)thiolane
CID 58797584
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine (CID 107166323) is 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine is CC(C)(C)S(=O)(=O)CCNCC1CCSC1.
What is the InChIKey of 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is XVUNCRXBQDFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-11(2,3)16(13,14)7-5-12-8-10-4-6-15-9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine?
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 265.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).