4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride

C7H17ClN2O3S — CID 153296028

IUPAC4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride
SMILESCl.NCC1(O)CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O3S.ClH/c8-5-7(10)3-1-6(2-4-7)13(9,11)12;/h6,10H,1-5,8H2,(H2,9,11,12);1H
InChIKeyOQBYPJXEBCTZDI-UHFFFAOYSA-N
MW244.74 g/mol
LogP-0.67
Rot. Bonds2

About 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride

4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride (PubChem CID 153296028) has the molecular formula C7H17ClN2O3S and a molecular weight of 244.74 g/mol. Its IUPAC name is 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride
PubChem CID153296028
Molecular FormulaC7H17ClN2O3S
Molecular Weight244.74 g/mol
Exact Mass244.06
IUPAC Name4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride
SMILESCl.NCC1(O)CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O3S.ClH/c8-5-7(10)3-1-6(2-4-7)13(9,11)12;/h6,10H,1-5,8H2,(H2,9,11,12);1H
InChIKeyOQBYPJXEBCTZDI-UHFFFAOYSA-N
XLogP-0.67
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride (CID 153296028) is 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride is Cl.NCC1(O)CCC(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride?
The InChIKey is OQBYPJXEBCTZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.ClH/c8-5-7(10)3-1-6(2-4-7)13(9,11)12;/h6,10H,1-5,8H2,(H2,9,11,12);1H.
What are the key properties of 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride?
4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride has a molecular weight of 244.74 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-hydroxycyclohexane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 153296028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).