N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C14H24N4O2S — CID 106073994

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCN3CCCC3C2)c[nH]1
InChIInChI=1S/C14H24N4O2S/c1-15-9-12-8-14(10-16-12)21(19,20)17-11-4-6-18-5-2-3-13(18)7-11/h8,10-11,13,15-17H,2-7,9H2,1H3
InChIKeyDUUWKZQDAYHICE-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.64
Rot. Bonds5

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106073994) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106073994
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCN3CCCC3C2)c[nH]1
InChIInChI=1S/C14H24N4O2S/c1-15-9-12-8-14(10-16-12)21(19,20)17-11-4-6-18-5-2-3-13(18)7-11/h8,10-11,13,15-17H,2-7,9H2,1H3
InChIKeyDUUWKZQDAYHICE-UHFFFAOYSA-N
XLogP0.64
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106010727
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106082645
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106082947
5-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106086267
N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058909
N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61273889
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106073994) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCN3CCCC3C2)c[nH]1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DUUWKZQDAYHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-15-9-12-8-14(10-16-12)21(19,20)17-11-4-6-18-5-2-3-13(18)7-11/h8,10-11,13,15-17H,2-7,9H2,1H3.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106073994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).