2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene

C14H27N3O2S2 — CID 106094609

IUPAC2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
SMILESCCc1ccc(CNS(=O)(=O)N(C)CCCNC(C)C)s1
InChIInChI=1S/C14H27N3O2S2/c1-5-13-7-8-14(20-13)11-16-21(18,19)17(4)10-6-9-15-12(2)3/h7-8,12,15-16H,5-6,9-11H2,1-4H3
InChIKeyBXRDVRVHTIXFPY-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.96
Rot. Bonds10

About 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene

2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene (PubChem CID 106094609) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene.

Molecular Properties

Compound Name2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
PubChem CID106094609
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
SMILESCCc1ccc(CNS(=O)(=O)N(C)CCCNC(C)C)s1
InChIInChI=1S/C14H27N3O2S2/c1-5-13-7-8-14(20-13)11-16-21(18,19)17(4)10-6-9-15-12(2)3/h7-8,12,15-16H,5-6,9-11H2,1-4H3
InChIKeyBXRDVRVHTIXFPY-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106013665
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
CID 106003836
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106031151
5-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106060954
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 114175013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene?
The IUPAC name of 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene (CID 106094609) is 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene.
What is the SMILES notation for 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene?
The canonical SMILES for 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene is CCc1ccc(CNS(=O)(=O)N(C)CCCNC(C)C)s1.
What is the InChIKey of 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene?
The InChIKey is BXRDVRVHTIXFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-5-13-7-8-14(20-13)11-16-21(18,19)17(4)10-6-9-15-12(2)3/h7-8,12,15-16H,5-6,9-11H2,1-4H3.
What are the key properties of 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene?
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene has a molecular weight of 333.52 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene is sourced from PubChem (CID 106094609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).