2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide

C14H20N2O2S — CID 106231135

IUPAC2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESC#CC(CC)Nc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H20N2O2S/c1-5-12(6-2)15-13-9-7-8-10-14(13)19(17,18)16-11(3)4/h1,7-12,15-16H,6H2,2-4H3
InChIKeyOGEXPLFUYAHFCC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.20
Rot. Bonds6

About 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide

2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 106231135) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID106231135
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESC#CC(CC)Nc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H20N2O2S/c1-5-12(6-2)15-13-9-7-8-10-14(13)19(17,18)16-11(3)4/h1,7-12,15-16H,6H2,2-4H3
InChIKeyOGEXPLFUYAHFCC-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(difluoromethylsulfonyl)-N-pent-1-yn-3-ylaniline
CID 106231311
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
2-methyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898671
2-N-pent-1-yn-3-ylbenzene-1,2-disulfonamide
CID 114160694
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250

Frequently Asked Questions

What is the IUPAC name of 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide (CID 106231135) is 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide is C#CC(CC)Nc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OGEXPLFUYAHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-5-12(6-2)15-13-9-7-8-10-14(13)19(17,18)16-11(3)4/h1,7-12,15-16H,6H2,2-4H3.
What are the key properties of 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106231135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).