5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide

C11H18N2O3S2 — CID 114098349

IUPAC5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCOCC2CC2)s1
InChIInChI=1S/C11H18N2O3S2/c12-7-10-3-4-11(17-10)18(14,15)13-5-6-16-8-9-1-2-9/h3-4,9,13H,1-2,5-8,12H2
InChIKeyGOAPVLRWDIFXMO-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.91
Rot. Bonds8

About 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 114098349) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID114098349
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCOCC2CC2)s1
InChIInChI=1S/C11H18N2O3S2/c12-7-10-3-4-11(17-10)18(14,15)13-5-6-16-8-9-1-2-9/h3-4,9,13H,1-2,5-8,12H2
InChIKeyGOAPVLRWDIFXMO-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 60857110
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
CID 103748795
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106064530
5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 43615493
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106020076
5-(aminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64531590
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide (CID 114098349) is 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCOCC2CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is GOAPVLRWDIFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c12-7-10-3-4-11(17-10)18(14,15)13-5-6-16-8-9-1-2-9/h3-4,9,13H,1-2,5-8,12H2.
What are the key properties of 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114098349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).