6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide

C18H21N3O4S — CID 18133007

IUPAC6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C18H21N3O4S/c22-26(23,21-14-3-1-2-4-14)15-6-8-18(20-11-15)19-10-13-5-7-16-17(9-13)25-12-24-16/h5-9,11,14,21H,1-4,10,12H2,(H,19,20)
InChIKeyKQVMGXSMYCJKIB-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.64
Rot. Bonds6

About 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide

6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide (PubChem CID 18133007) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
PubChem CID18133007
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C18H21N3O4S/c22-26(23,21-14-3-1-2-4-14)15-6-8-18(20-11-15)19-10-13-5-7-16-17(9-13)25-12-24-16/h5-9,11,14,21H,1-4,10,12H2,(H,19,20)
InChIKeyKQVMGXSMYCJKIB-UHFFFAOYSA-N
XLogP2.64
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
CID 109273911
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 17394006
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclopentylbenzenesulfonamide
CID 45375240
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]methanone
CID 109157408
2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
CID 39179801
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-cyclopropyl-1,2,4-triazine-3,5-diamine
CID 112939317

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide (CID 18133007) is 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide?
The InChIKey is KQVMGXSMYCJKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-26(23,21-14-3-1-2-4-14)15-6-8-18(20-11-15)19-10-13-5-7-16-17(9-13)25-12-24-16/h5-9,11,14,21H,1-4,10,12H2,(H,19,20).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide?
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide is sourced from PubChem (CID 18133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).