4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide

C12H22N2O2S2 — CID 106066825

IUPAC4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C12H22N2O2S2/c1-4-9(2)5-10(3)14-18(15,16)12-6-11(7-13)8-17-12/h6,8-10,14H,4-5,7,13H2,1-3H3
InChIKeyPQYYQKPTEMFUHN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.31
Rot. Bonds7

About 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide (PubChem CID 106066825) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
PubChem CID106066825
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C12H22N2O2S2/c1-4-9(2)5-10(3)14-18(15,16)12-6-11(7-13)8-17-12/h6,8-10,14H,4-5,7,13H2,1-3H3
InChIKeyPQYYQKPTEMFUHN-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114132138
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
CID 114141469
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide (CID 106066825) is 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide is CCC(C)CC(C)NS(=O)(=O)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide?
The InChIKey is PQYYQKPTEMFUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-4-9(2)5-10(3)14-18(15,16)12-6-11(7-13)8-17-12/h6,8-10,14H,4-5,7,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106066825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).