N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H26N2O3S2 — CID 106017515

IUPACN-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1csc(CNC(C)C)c1
InChIInChI=1S/C14H26N2O3S2/c1-4-5-7-19-8-6-16-21(17,18)14-9-13(20-11-14)10-15-12(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3
InChIKeyIRDWTWFKCBNVPO-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.34
Rot. Bonds11

About N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106017515) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106017515
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1csc(CNC(C)C)c1
InChIInChI=1S/C14H26N2O3S2/c1-4-5-7-19-8-6-16-21(17,18)14-9-13(20-11-14)10-15-12(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3
InChIKeyIRDWTWFKCBNVPO-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.34
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-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
N-[2-(2-methylpropoxy)ethyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085324
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017154
N-(2-imidazol-1-ylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106018036
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
4-amino-N-(2-butoxyethyl)thiophene-2-sulfonamide
CID 61301356
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106017515) is N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CCCCOCCNS(=O)(=O)c1csc(CNC(C)C)c1.
What is the InChIKey of N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is IRDWTWFKCBNVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-4-5-7-19-8-6-16-21(17,18)14-9-13(20-11-14)10-15-12(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106017515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).