N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide

C8H13ClN2O2S2 — CID 96667362

IUPACN-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,5-6,10H2,1H3
InChIKeyVWVZSPJZUOYIFP-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.37
Rot. Bonds5

About N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide

N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide (PubChem CID 96667362) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
PubChem CID96667362
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC NameN-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,5-6,10H2,1H3
InChIKeyVWVZSPJZUOYIFP-UHFFFAOYSA-N
XLogP1.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
2-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]ethoxy]acetic acid
CID 59820139
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide (CID 96667362) is N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide is CN(CCCN)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The InChIKey is VWVZSPJZUOYIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,5-6,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide has a molecular weight of 268.79 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 96667362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).