N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride

C11H20Cl2N2O2S2 — CID 120711958

IUPACN-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(C)c(Cl)s1.Cl
InChIInChI=1S/C11H19ClN2O2S2.ClH/c1-4-11(13,5-2)7-14-18(15,16)9-6-8(3)10(12)17-9;/h6,14H,4-5,7,13H2,1-3H3;1H
InChIKeyIYTPIWVMOPEMTA-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.93
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride (PubChem CID 120711958) has the molecular formula C11H20Cl2N2O2S2 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
PubChem CID120711958
Molecular FormulaC11H20Cl2N2O2S2
Molecular Weight347.33 g/mol
Exact Mass346.03
IUPAC NameN-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(C)c(Cl)s1.Cl
InChIInChI=1S/C11H19ClN2O2S2.ClH/c1-4-11(13,5-2)7-14-18(15,16)9-6-8(3)10(12)17-9;/h6,14H,4-5,7,13H2,1-3H3;1H
InChIKeyIYTPIWVMOPEMTA-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride (CID 120711958) is N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1cc(C)c(Cl)s1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is IYTPIWVMOPEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S2.ClH/c1-4-11(13,5-2)7-14-18(15,16)9-6-8(3)10(12)17-9;/h6,14H,4-5,7,13H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 347.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120711958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).