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

C15H28N2O2S2 — CID 106063280

IUPACN-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C15H28N2O2S2/c1-6-13(7-2)12(5)17-21(18,19)15-9-8-14(20-15)10-16-11(3)4/h8-9,11-13,16-17H,6-7,10H2,1-5H3
InChIKeyWEURIHYRLDMNSE-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.35
Rot. Bonds9

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

N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106063280) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106063280
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C15H28N2O2S2/c1-6-13(7-2)12(5)17-21(18,19)15-9-8-14(20-15)10-16-11(3)4/h8-9,11-13,16-17H,6-7,10H2,1-5H3
InChIKeyWEURIHYRLDMNSE-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871
2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106063280) is N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(CNC(C)C)s1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is WEURIHYRLDMNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-6-13(7-2)12(5)17-21(18,19)15-9-8-14(20-15)10-16-11(3)4/h8-9,11-13,16-17H,6-7,10H2,1-5H3.
What are the key properties of N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106063280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).