N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride

C10H16Cl2N2O2S2 — CID 120712728

IUPACN-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(N)CCC2)sc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-7-5-8(16-9(7)11)17(14,15)13-6-10(12)3-2-4-10;/h5,13H,2-4,6,12H2,1H3;1H
InChIKeyVZVMESNXBHLIMK-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.29
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride

N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride (PubChem CID 120712728) has the molecular formula C10H16Cl2N2O2S2 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
PubChem CID120712728
Molecular FormulaC10H16Cl2N2O2S2
Molecular Weight331.29 g/mol
Exact Mass330.00
IUPAC NameN-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(N)CCC2)sc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-7-5-8(16-9(7)11)17(14,15)13-6-10(12)3-2-4-10;/h5,13H,2-4,6,12H2,1H3;1H
InChIKeyVZVMESNXBHLIMK-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987960
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride (CID 120712728) is N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC2(N)CCC2)sc1Cl.Cl.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is VZVMESNXBHLIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2.ClH/c1-7-5-8(16-9(7)11)17(14,15)13-6-10(12)3-2-4-10;/h5,13H,2-4,6,12H2,1H3;1H.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride?
N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120712728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).