(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride

C8H12ClNO2S2 — CID 154577725

IUPAC(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1S(=O)(=O)C1CC1
InChIInChI=1S/C8H11NO2S2.ClH/c9-5-6-3-4-12-8(6)13(10,11)7-1-2-7;/h3-4,7H,1-2,5,9H2;1H
InChIKeyZDXUGQZCPJJUHV-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.56
Rot. Bonds3

About (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride

(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride (PubChem CID 154577725) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride
PubChem CID154577725
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1S(=O)(=O)C1CC1
InChIInChI=1S/C8H11NO2S2.ClH/c9-5-6-3-4-12-8(6)13(10,11)7-1-2-7;/h3-4,7H,1-2,5,9H2;1H
InChIKeyZDXUGQZCPJJUHV-UHFFFAOYSA-N
XLogP1.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride (CID 154577725) is (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride is Cl.NCc1ccsc1S(=O)(=O)C1CC1.
What is the InChIKey of (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride?
The InChIKey is ZDXUGQZCPJJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2.ClH/c9-5-6-3-4-12-8(6)13(10,11)7-1-2-7;/h3-4,7H,1-2,5,9H2;1H.
What are the key properties of (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride?
(2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylsulfonylthiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 154577725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).