N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide

C10H18N2O3S2 — CID 114133354

IUPACN-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C10H18N2O3S2/c1-12(2)5-3-4-11-17(14,15)10-6-9(7-13)8-16-10/h6,8,11,13H,3-5,7H2,1-2H3
InChIKeyWRBPLUBPMZDJRO-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.47
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide

N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide (PubChem CID 114133354) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
PubChem CID114133354
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C10H18N2O3S2/c1-12(2)5-3-4-11-17(14,15)10-6-9(7-13)8-16-10/h6,8,11,13H,3-5,7H2,1-2H3
InChIKeyWRBPLUBPMZDJRO-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.47
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

N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114132138
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114132125
4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173428

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide (CID 114133354) is N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide is CN(C)CCCNS(=O)(=O)c1cc(CO)cs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide?
The InChIKey is WRBPLUBPMZDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-12(2)5-3-4-11-17(14,15)10-6-9(7-13)8-16-10/h6,8,11,13H,3-5,7H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide?
N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114133354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).