N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide

C13H21N3O2S — CID 63996785

IUPACN-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NC(C)CC2CC2)ccn1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-9-12(6-7-15-13)19(17,18)16-10(2)8-11-4-5-11/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyJROLAGMGRVDZDD-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.98
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide

N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide (PubChem CID 63996785) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
PubChem CID63996785
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NC(C)CC2CC2)ccn1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-9-12(6-7-15-13)19(17,18)16-10(2)8-11-4-5-11/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyJROLAGMGRVDZDD-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 63995589
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
N-(1-ethoxypropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62158252
2-(ethylamino)-N-(3-ethylpentan-2-yl)pyridine-4-sulfonamide
CID 63838256
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
2-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 62153288
2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
CID 55044390
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide (CID 63996785) is N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)NC(C)CC2CC2)ccn1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The InChIKey is JROLAGMGRVDZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-14-13-9-12(6-7-15-13)19(17,18)16-10(2)8-11-4-5-11/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 63996785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).