5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide

C14H26N2O2S2 — CID 102915697

IUPAC5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C14H26N2O2S2/c1-10(2)13(11(3)4)9-16-20(17,18)14-7-6-12(19-14)8-15-5/h6-7,10-11,13,15-16H,8-9H2,1-5H3
InChIKeyMSUNMOAOLQEYSV-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.67
Rot. Bonds8

About 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide (PubChem CID 102915697) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
PubChem CID102915697
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C14H26N2O2S2/c1-10(2)13(11(3)4)9-16-20(17,18)14-7-6-12(19-14)8-15-5/h6-7,10-11,13,15-16H,8-9H2,1-5H3
InChIKeyMSUNMOAOLQEYSV-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83147123
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide (CID 102915697) is 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide?
The InChIKey is MSUNMOAOLQEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-10(2)13(11(3)4)9-16-20(17,18)14-7-6-12(19-14)8-15-5/h6-7,10-11,13,15-16H,8-9H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 102915697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).