2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 114141469

IUPAC2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-4-9(2)7-10(3)14-18(15,16)12-5-6-17-11(12)8-13/h5-6,9-10,14H,4,7-8,13H2,1-3H3
InChIKeyFRLSULLLJWCTSL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.31
Rot. Bonds7

About 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide (PubChem CID 114141469) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
PubChem CID114141469
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-4-9(2)7-10(3)14-18(15,16)12-5-6-17-11(12)8-13/h5-6,9-10,14H,4,7-8,13H2,1-3H3
InChIKeyFRLSULLLJWCTSL-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

2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
CID 106062308
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
CID 79469775
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide (CID 114141469) is 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide is CCC(C)CC(C)NS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide?
The InChIKey is FRLSULLLJWCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-4-9(2)7-10(3)14-18(15,16)12-5-6-17-11(12)8-13/h5-6,9-10,14H,4,7-8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-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 2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114141469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).