N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide

C14H27N3O2S2 — CID 106051994

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)s1
InChIInChI=1S/C14H27N3O2S2/c1-6-15-9-12-7-8-14(20-12)21(18,19)16-13(11(2)3)10-17(4)5/h7-8,11,13,15-16H,6,9-10H2,1-5H3
InChIKeyPFHMNXDCASDPOV-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.72
Rot. Bonds9

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106051994) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106051994
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)s1
InChIInChI=1S/C14H27N3O2S2/c1-6-15-9-12-7-8-14(20-12)21(18,19)16-13(11(2)3)10-17(4)5/h7-8,11,13,15-16H,6,9-10H2,1-5H3
InChIKeyPFHMNXDCASDPOV-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106051994) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)s1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is PFHMNXDCASDPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-6-15-9-12-7-8-14(20-12)21(18,19)16-13(11(2)3)10-17(4)5/h7-8,11,13,15-16H,6,9-10H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106051994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).