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

C14H26N2O2S3 — CID 106093680

IUPACN-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C14H26N2O2S3/c1-12(2)15-11-13-7-8-14(20-13)21(17,18)16-9-5-4-6-10-19-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3
InChIKeyWYIPYLMASNQJAA-UHFFFAOYSA-N
MW350.58 g/mol
LogP3.06
Rot. Bonds11

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

N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106093680) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106093680
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC NameN-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C14H26N2O2S3/c1-12(2)15-11-13-7-8-14(20-13)21(17,18)16-9-5-4-6-10-19-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3
InChIKeyWYIPYLMASNQJAA-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.06
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-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106051525
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106093680) is N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CSCCCCCNS(=O)(=O)c1ccc(CNC(C)C)s1.
What is the InChIKey of N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is WYIPYLMASNQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-12(2)15-11-13-7-8-14(20-13)21(17,18)16-9-5-4-6-10-19-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3.
What are the key properties of N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 3.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106093680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).