N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

C13H22N2O3S — CID 106014648

IUPACN-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1c[nH]c(CO)c1
InChIInChI=1S/C13H22N2O3S/c16-10-12-8-13(9-14-12)19(17,18)15-7-3-6-11-4-1-2-5-11/h8-9,11,14-16H,1-7,10H2
InChIKeyLBXVBNZKLOODAM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.76
Rot. Bonds7

About N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106014648) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106014648
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1c[nH]c(CO)c1
InChIInChI=1S/C13H22N2O3S/c16-10-12-8-13(9-14-12)19(17,18)15-7-3-6-11-4-1-2-5-11/h8-9,11,14-16H,1-7,10H2
InChIKeyLBXVBNZKLOODAM-UHFFFAOYSA-N
XLogP1.76
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106433688
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106082645
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106000983
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (CID 106014648) is N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is O=S(=O)(NCCCC1CCCC1)c1c[nH]c(CO)c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is LBXVBNZKLOODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-10-12-8-13(9-14-12)19(17,18)15-7-3-6-11-4-1-2-5-11/h8-9,11,14-16H,1-7,10H2.
What are the key properties of N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106014648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).