N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide

C13H26N2O2S — CID 71792533

IUPACN-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide
SMILESCC(C)N(CC#CCNS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-11(2)15(12(3)4)10-8-7-9-14-18(16,17)13(5)6/h11-14H,9-10H2,1-6H3
InChIKeyMALDOVMQXHVRID-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.44
Rot. Bonds6

About N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide

N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide (PubChem CID 71792533) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide
PubChem CID71792533
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide
SMILESCC(C)N(CC#CCNS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-11(2)15(12(3)4)10-8-7-9-14-18(16,17)13(5)6/h11-14H,9-10H2,1-6H3
InChIKeyMALDOVMQXHVRID-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)but-2-yn-1-yl]cyclopropanesulfonamide
CID 71792442
N-(4-(diisopropylamino)but-2-yn-1-yl)methanesulfonamide
CID 71792524
N-(4-(diisopropylamino)but-2-yn-1-yl)propane-1-sulfonamide
CID 71792525
2-[di(propan-2-yl)amino]-N-methylethanesulfonamide
CID 57939475
2-(diethylamino)-N-methylethanesulfonamide
CID 57939514
Tri(propan-2-yl)-propan-2-ylsulfonylazanium
CID 57957783
CID 58878991
CID 58878991
N-but-2-ynyl-N-propan-2-ylbut-2-yne-1-sulfonamide
CID 59140101
CID 59175956
CID 59175956
2-(propan-2-ylamino)-N-propylethanesulfonamide
CID 61545617
N-butyl-2-(propan-2-ylamino)ethanesulfonamide
CID 61545813
N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 61546208

Frequently Asked Questions

What is the IUPAC name of N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide (CID 71792533) is N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide is CC(C)N(CC#CCNS(=O)(=O)C(C)C)C(C)C.
What is the InChIKey of N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide?
The InChIKey is MALDOVMQXHVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11(2)15(12(3)4)10-8-7-9-14-18(16,17)13(5)6/h11-14H,9-10H2,1-6H3.
What are the key properties of N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide?
N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[di(propan-2-yl)amino]but-2-ynyl]propane-2-sulfonamide is sourced from PubChem (CID 71792533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).