5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide

C14H20N4O2S — CID 106030787

IUPAC5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCc2cccnc2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-11(2)16-9-13-6-14(10-17-13)21(19,20)18-8-12-4-3-5-15-7-12/h3-7,10-11,16-18H,8-9H2,1-2H3
InChIKeyNYDWOCUDWDSJFF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.39
Rot. Bonds7

About 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide

5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106030787) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106030787
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCc2cccnc2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-11(2)16-9-13-6-14(10-17-13)21(19,20)18-8-12-4-3-5-15-7-12/h3-7,10-11,16-18H,8-9H2,1-2H3
InChIKeyNYDWOCUDWDSJFF-UHFFFAOYSA-N
XLogP1.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-pyridinyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106090095
5-(methylaminomethyl)-N-(1-pyridin-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106021006
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106089929
5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106030834
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide (CID 106030787) is 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NCc2cccnc2)c[nH]1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NYDWOCUDWDSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(2)16-9-13-6-14(10-17-13)21(19,20)18-8-12-4-3-5-15-7-12/h3-7,10-11,16-18H,8-9H2,1-2H3.
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106030787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).