N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

C12H18Cl2N2O2S2 — CID 71213402

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNCC1CCC(CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C12H18Cl2N2O2S2/c13-11-5-10(12(14)19-11)20(17,18)16-7-9-3-1-8(6-15)2-4-9/h5,8-9,16H,1-4,6-7,15H2
InChIKeyDXWMQQXLOJWWMT-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.10
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 71213402) has the molecular formula C12H18Cl2N2O2S2 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID71213402
Molecular FormulaC12H18Cl2N2O2S2
Molecular Weight357.33 g/mol
Exact Mass356.02
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNCC1CCC(CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C12H18Cl2N2O2S2/c13-11-5-10(12(14)19-11)20(17,18)16-7-9-3-1-8(6-15)2-4-9/h5,8-9,16H,1-4,6-7,15H2
InChIKeyDXWMQQXLOJWWMT-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (CID 71213402) is N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is NCC1CCC(CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is DXWMQQXLOJWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S2/c13-11-5-10(12(14)19-11)20(17,18)16-7-9-3-1-8(6-15)2-4-9/h5,8-9,16H,1-4,6-7,15H2.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 357.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 71213402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).