(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride

C9H13ClN2O2S — CID 170902776

IUPAC(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)C2CC2)cn1
InChIInChI=1S/C9H12N2O2S.ClH/c10-5-7-1-2-9(6-11-7)14(12,13)8-3-4-8;/h1-2,6,8H,3-5,10H2;1H
InChIKeyPKEBIYKLEDCEOF-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.90
Rot. Bonds3

About (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride

(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride (PubChem CID 170902776) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride
PubChem CID170902776
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)C2CC2)cn1
InChIInChI=1S/C9H12N2O2S.ClH/c10-5-7-1-2-9(6-11-7)14(12,13)8-3-4-8;/h1-2,6,8H,3-5,10H2;1H
InChIKeyPKEBIYKLEDCEOF-UHFFFAOYSA-N
XLogP0.90
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride (CID 170902776) is (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride is Cl.NCc1ccc(S(=O)(=O)C2CC2)cn1.
What is the InChIKey of (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is PKEBIYKLEDCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.ClH/c10-5-7-1-2-9(6-11-7)14(12,13)8-3-4-8;/h1-2,6,8H,3-5,10H2;1H.
What are the key properties of (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 170902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).