N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide

C14H17N3O2S — CID 11818625

IUPACN-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cccc2cnccc12
InChIInChI=1S/C14H17N3O2S/c18-20(19,17-10-12-4-2-7-16-12)14-5-1-3-11-9-15-8-6-13(11)14/h1,3,5-6,8-9,12,16-17H,2,4,7,10H2
InChIKeyCMAVUZPUJHRVSP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.27
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide

N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide (PubChem CID 11818625) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
PubChem CID11818625
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cccc2cnccc12
InChIInChI=1S/C14H17N3O2S/c18-20(19,17-10-12-4-2-7-16-12)14-5-1-3-11-9-15-8-6-13(11)14/h1,3,5-6,8-9,12,16-17H,2,4,7,10H2
InChIKeyCMAVUZPUJHRVSP-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
CID 120720909
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
N-[2-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide
CID 54071162
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(1H-pyrazol-5-ylmethyl)isoquinoline-5-sulfonamide
CID 61285120
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide (CID 11818625) is N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide is O=S(=O)(NCC1CCCN1)c1cccc2cnccc12.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide?
The InChIKey is CMAVUZPUJHRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,17-10-12-4-2-7-16-12)14-5-1-3-11-9-15-8-6-13(11)14/h1,3,5-6,8-9,12,16-17H,2,4,7,10H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide?
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 11818625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).