5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide

C14H20N4O2S — CID 106030834

IUPAC5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2cccnc2)cc1CN
InChIInChI=1S/C14H20N4O2S/c1-11(2)18-10-14(6-13(18)7-15)21(19,20)17-9-12-4-3-5-16-8-12/h3-6,8,10-11,17H,7,9,15H2,1-2H3
InChIKeyLTYQVZJONBPOSF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.40
Rot. Bonds6

About 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 106030834) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
PubChem CID106030834
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2cccnc2)cc1CN
InChIInChI=1S/C14H20N4O2S/c1-11(2)18-10-14(6-13(18)7-15)21(19,20)17-9-12-4-3-5-16-8-12/h3-6,8,10-11,17H,7,9,15H2,1-2H3
InChIKeyLTYQVZJONBPOSF-UHFFFAOYSA-N
XLogP1.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-3-sulfonamide
CID 106013409
5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106030787
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
5-(aminomethyl)-1-propan-2-yl-N-(thian-4-ylmethyl)pyrrole-3-sulfonamide
CID 106078628
1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 17247589
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide (CID 106030834) is 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2cccnc2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is LTYQVZJONBPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(2)18-10-14(6-13(18)7-15)21(19,20)17-9-12-4-3-5-16-8-12/h3-6,8,10-11,17H,7,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106030834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).