N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide

C14H27N3O2S2 — CID 106010442

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(CC(C)C)CN(C)C)cs1
InChIInChI=1S/C14H27N3O2S2/c1-11(2)6-12(9-17(4)5)16-21(18,19)14-7-13(8-15-3)20-10-14/h7,10-12,15-16H,6,8-9H2,1-5H3
InChIKeyUHQTWMOWSMSCCH-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.72
Rot. Bonds9

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106010442) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106010442
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(CC(C)C)CN(C)C)cs1
InChIInChI=1S/C14H27N3O2S2/c1-11(2)6-12(9-17(4)5)16-21(18,19)14-7-13(8-15-3)20-10-14/h7,10-12,15-16H,6,8-9H2,1-5H3
InChIKeyUHQTWMOWSMSCCH-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106051741
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283763
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
CID 99858952

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106010442) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(CC(C)C)CN(C)C)cs1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is UHQTWMOWSMSCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-11(2)6-12(9-17(4)5)16-21(18,19)14-7-13(8-15-3)20-10-14/h7,10-12,15-16H,6,8-9H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106010442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).