(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride

C7H15ClFNO2S — CID 167723013

IUPAC(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride
SMILESCl.NC1CCC(CS(=O)(=O)F)CC1
InChIInChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-6-1-3-7(9)4-2-6;/h6-7H,1-5,9H2;1H
InChIKeyNCXLVLLDWQLYRP-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.23
Rot. Bonds2

About (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride

(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride (PubChem CID 167723013) has the molecular formula C7H15ClFNO2S and a molecular weight of 231.72 g/mol. Its IUPAC name is (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride
PubChem CID167723013
Molecular FormulaC7H15ClFNO2S
Molecular Weight231.72 g/mol
Exact Mass231.05
IUPAC Name(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride
SMILESCl.NC1CCC(CS(=O)(=O)F)CC1
InChIInChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-6-1-3-7(9)4-2-6;/h6-7H,1-5,9H2;1H
InChIKeyNCXLVLLDWQLYRP-UHFFFAOYSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride?
The IUPAC name of (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride (CID 167723013) is (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride?
The canonical SMILES for (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride is Cl.NC1CCC(CS(=O)(=O)F)CC1.
What is the InChIKey of (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride?
The InChIKey is NCXLVLLDWQLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-6-1-3-7(9)4-2-6;/h6-7H,1-5,9H2;1H.
What are the key properties of (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride?
(4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)methanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 167723013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).