N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C14H26N2O3S2 — CID 106068483

IUPACN-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C14H26N2O3S2/c1-5-6-12(10-19-4)16-21(17,18)14-8-7-13(20-14)9-15-11(2)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3
InChIKeyAYGCKSTXHBPMCW-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.34
Rot. Bonds10

About N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106068483) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106068483
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C14H26N2O3S2/c1-5-6-12(10-19-4)16-21(17,18)14-8-7-13(20-14)9-15-11(2)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3
InChIKeyAYGCKSTXHBPMCW-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106158237
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-(aminomethyl)-N-pentan-2-ylthiophene-2-sulfonamide
CID 43155699
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106068483) is N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CCCC(COC)NS(=O)(=O)c1ccc(CNC(C)C)s1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is AYGCKSTXHBPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-5-6-12(10-19-4)16-21(17,18)14-8-7-13(20-14)9-15-11(2)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3.
What are the key properties of N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106068483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).