N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

C14H26N2O2S3 — CID 115988696

IUPACN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C
InChIInChI=1S/C14H26N2O2S3/c1-6-7-15-9-13-11(2)8-14(20-13)21(17,18)16(4)12(3)10-19-5/h8,12,15H,6-7,9-10H2,1-5H3
InChIKeyOCUPEHAQLCQLKW-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.93
Rot. Bonds9

About N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 115988696) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID115988696
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC NameN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C
InChIInChI=1S/C14H26N2O2S3/c1-6-7-15-9-13-11(2)8-14(20-13)21(17,18)16(4)12(3)10-19-5/h8,12,15H,6-7,9-10H2,1-5H3
InChIKeyOCUPEHAQLCQLKW-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
CID 112667235
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547
N-(1-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115988576
N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 112656690
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106075417
5-(chloromethyl)-N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667165

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 115988696) is N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C.
What is the InChIKey of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is OCUPEHAQLCQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-6-7-15-9-13-11(2)8-14(20-13)21(17,18)16(4)12(3)10-19-5/h8,12,15H,6-7,9-10H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115988696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).