2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene

C13H24ClN3O2S2 — CID 106003836

IUPAC2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
SMILESCC(C)NCCCN(C)S(=O)(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H24ClN3O2S2/c1-10(2)15-8-5-9-17(4)21(18,19)16-11(3)12-6-7-13(14)20-12/h6-7,10-11,15-16H,5,8-9H2,1-4H3
InChIKeyLBSQURFVZRXTET-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.62
Rot. Bonds9

About 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene

2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene (PubChem CID 106003836) has the molecular formula C13H24ClN3O2S2 and a molecular weight of 353.94 g/mol. Its IUPAC name is 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
PubChem CID106003836
Molecular FormulaC13H24ClN3O2S2
Molecular Weight353.94 g/mol
Exact Mass353.10
IUPAC Name2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
SMILESCC(C)NCCCN(C)S(=O)(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H24ClN3O2S2/c1-10(2)15-8-5-9-17(4)21(18,19)16-11(3)12-6-7-13(14)20-12/h6-7,10-11,15-16H,5,8-9H2,1-4H3
InChIKeyLBSQURFVZRXTET-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.62
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

3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106031151
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
CID 106003944
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene?
The IUPAC name of 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene (CID 106003836) is 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene.
What is the SMILES notation for 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene?
The canonical SMILES for 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene is CC(C)NCCCN(C)S(=O)(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene?
The InChIKey is LBSQURFVZRXTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2S2/c1-10(2)15-8-5-9-17(4)21(18,19)16-11(3)12-6-7-13(14)20-12/h6-7,10-11,15-16H,5,8-9H2,1-4H3.
What are the key properties of 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene?
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene has a molecular weight of 353.94 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene is sourced from PubChem (CID 106003836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).