N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide

C14H26N2O3S2 — CID 81064546

IUPACN-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1csc(S(=O)(=O)N(C)CCOC(C)C)c1
InChIInChI=1S/C14H26N2O3S2/c1-11(2)15-9-13-8-14(20-10-13)21(17,18)16(5)6-7-19-12(3)4/h8,10-12,15H,6-7,9H2,1-5H3
InChIKeyMVPOKXLMONLWEP-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.29
Rot. Bonds9

About N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide

N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide (PubChem CID 81064546) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
PubChem CID81064546
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1csc(S(=O)(=O)N(C)CCOC(C)C)c1
InChIInChI=1S/C14H26N2O3S2/c1-11(2)15-9-13-8-14(20-10-13)21(17,18)16(5)6-7-19-12(3)4/h8,10-12,15H,6-7,9H2,1-5H3
InChIKeyMVPOKXLMONLWEP-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115988546
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 102750178
N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106080531
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064533
N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106086689
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 81067747
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide (CID 81064546) is N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide is CC(C)NCc1csc(S(=O)(=O)N(C)CCOC(C)C)c1.
What is the InChIKey of N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide?
The InChIKey is MVPOKXLMONLWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-11(2)15-9-13-8-14(20-10-13)21(17,18)16(5)6-7-19-12(3)4/h8,10-12,15H,6-7,9H2,1-5H3.
What are the key properties of N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide?
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81064546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).