4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride

C9H18FNO2S — CID 139515086

IUPAC4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride
SMILESNCCC1CCCC(S(=O)(=O)F)CC1
InChIInChI=1S/C9H18FNO2S/c10-14(12,13)9-3-1-2-8(4-5-9)6-7-11/h8-9H,1-7,11H2
InChIKeyXUIZYJYYDXZRSI-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.58
Rot. Bonds3

About 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride

4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride (PubChem CID 139515086) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride
PubChem CID139515086
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride
SMILESNCCC1CCCC(S(=O)(=O)F)CC1
InChIInChI=1S/C9H18FNO2S/c10-14(12,13)9-3-1-2-8(4-5-9)6-7-11/h8-9H,1-7,11H2
InChIKeyXUIZYJYYDXZRSI-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride?
The IUPAC name of 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride (CID 139515086) is 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride.
What is the SMILES notation for 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride?
The canonical SMILES for 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride is NCCC1CCCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride?
The InChIKey is XUIZYJYYDXZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c10-14(12,13)9-3-1-2-8(4-5-9)6-7-11/h8-9H,1-7,11H2.
What are the key properties of 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride?
4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride has a molecular weight of 223.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cycloheptane-1-sulfonyl fluoride is sourced from PubChem (CID 139515086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).