6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride

C10H13ClN2O2S — CID 58327505

IUPAC6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(NCC2CC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O2S/c1-7-9(16(11,14)15)4-5-10(13-7)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyVEMRABIYJBLARI-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.14
Rot. Bonds4

About 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride

6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride (PubChem CID 58327505) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride
PubChem CID58327505
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(NCC2CC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O2S/c1-7-9(16(11,14)15)4-5-10(13-7)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyVEMRABIYJBLARI-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride (CID 58327505) is 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride is Cc1nc(NCC2CC2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is VEMRABIYJBLARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-7-9(16(11,14)15)4-5-10(13-7)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride?
6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride has a molecular weight of 260.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 58327505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).