2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine

C11H19NO2S2 — CID 115625748

IUPAC2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-11(2,3)16(13,14)8-6-12-9-10-5-4-7-15-10/h4-5,7,12H,6,8-9H2,1-3H3
InChIKeyRCEUVFXEFBMJTL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.05
Rot. Bonds5

About 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine

2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 115625748) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID115625748
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-11(2,3)16(13,14)8-6-12-9-10-5-4-7-15-10/h4-5,7,12H,6,8-9H2,1-3H3
InChIKeyRCEUVFXEFBMJTL-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.05
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

3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 106512489
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
CID 106723822
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine (CID 115625748) is 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine is CC(C)(C)S(=O)(=O)CCNCc1cccs1.
What is the InChIKey of 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is RCEUVFXEFBMJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-11(2,3)16(13,14)8-6-12-9-10-5-4-7-15-10/h4-5,7,12H,6,8-9H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.05, 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-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 115625748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).