(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride

C7H12ClNO2S2 — CID 91647541

IUPAC(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1ccc(CN)s1.Cl
InChIInChI=1S/C7H11NO2S2.ClH/c1-2-12(9,10)7-4-3-6(5-8)11-7;/h3-4H,2,5,8H2,1H3;1H
InChIKeyIKCJEMOKZXJUSC-UHFFFAOYSA-N
MW241.76 g/mol
LogP1.42
Rot. Bonds3

About (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride

(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride (PubChem CID 91647541) has the molecular formula C7H12ClNO2S2 and a molecular weight of 241.76 g/mol. Its IUPAC name is (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride
PubChem CID91647541
Molecular FormulaC7H12ClNO2S2
Molecular Weight241.76 g/mol
Exact Mass241.00
IUPAC Name(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1ccc(CN)s1.Cl
InChIInChI=1S/C7H11NO2S2.ClH/c1-2-12(9,10)7-4-3-6(5-8)11-7;/h3-4H,2,5,8H2,1H3;1H
InChIKeyIKCJEMOKZXJUSC-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
CID 4293
(2-Thienylmethyl)amine
CID 34005
US10807974, Example 9
CID 130344870
(5-Thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 130345102
US10807974, Example 5
CID 130358172
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573
5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
US10807974, Example 86
CID 130344864
US10807974, Example 3
CID 130345075
[5-[4-(2-Methoxyethylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345082
US10807974, Example 18
CID 130358016

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride (CID 91647541) is (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride is CCS(=O)(=O)c1ccc(CN)s1.Cl.
What is the InChIKey of (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The InChIKey is IKCJEMOKZXJUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2.ClH/c1-2-12(9,10)7-4-3-6(5-8)11-7;/h3-4H,2,5,8H2,1H3;1H.
What are the key properties of (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride?
(5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfonylthiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 91647541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).