N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide

C14H21N3O3S — CID 63700384

IUPACN-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C14H21N3O3S/c1-16(2)7-8-17(3)21(19,20)14-10-13(11-15-12-14)6-4-5-9-18/h10-12,18H,5,7-9H2,1-3H3
InChIKeyHBJGKQZFSAOQCY-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.00
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide

N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide (PubChem CID 63700384) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
PubChem CID63700384
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C14H21N3O3S/c1-16(2)7-8-17(3)21(19,20)14-10-13(11-15-12-14)6-4-5-9-18/h10-12,18H,5,7-9H2,1-3H3
InChIKeyHBJGKQZFSAOQCY-UHFFFAOYSA-N
XLogP-0.00
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 63700705
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63655761
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115986921
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
CID 63656372
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942147
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79377246
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822722
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide (CID 63700384) is N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide is CN(C)CCN(C)S(=O)(=O)c1cncc(C#CCCO)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is HBJGKQZFSAOQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16(2)7-8-17(3)21(19,20)14-10-13(11-15-12-14)6-4-5-9-18/h10-12,18H,5,7-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide?
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 63700384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).