2-prop-2-enylsulfonylcyclohexane-1,1-diamine

C9H18N2O2S — CID 174720397

IUPAC2-prop-2-enylsulfonylcyclohexane-1,1-diamine
SMILESC=CCS(=O)(=O)C1CCCCC1(N)N
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)8-5-3-4-6-9(8,10)11/h2,8H,1,3-7,10-11H2
InChIKeyYMWZRSSTBAVUSN-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.14
Rot. Bonds3

About 2-prop-2-enylsulfonylcyclohexane-1,1-diamine

2-prop-2-enylsulfonylcyclohexane-1,1-diamine (PubChem CID 174720397) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2-prop-2-enylsulfonylcyclohexane-1,1-diamine
PubChem CID174720397
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-prop-2-enylsulfonylcyclohexane-1,1-diamine
SMILESC=CCS(=O)(=O)C1CCCCC1(N)N
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)8-5-3-4-6-9(8,10)11/h2,8H,1,3-7,10-11H2
InChIKeyYMWZRSSTBAVUSN-UHFFFAOYSA-N
XLogP0.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonylcyclohexane-1,1-diamine?
The IUPAC name of 2-prop-2-enylsulfonylcyclohexane-1,1-diamine (CID 174720397) is 2-prop-2-enylsulfonylcyclohexane-1,1-diamine.
What is the SMILES notation for 2-prop-2-enylsulfonylcyclohexane-1,1-diamine?
The canonical SMILES for 2-prop-2-enylsulfonylcyclohexane-1,1-diamine is C=CCS(=O)(=O)C1CCCCC1(N)N.
What is the InChIKey of 2-prop-2-enylsulfonylcyclohexane-1,1-diamine?
The InChIKey is YMWZRSSTBAVUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-7-14(12,13)8-5-3-4-6-9(8,10)11/h2,8H,1,3-7,10-11H2.
What are the key properties of 2-prop-2-enylsulfonylcyclohexane-1,1-diamine?
2-prop-2-enylsulfonylcyclohexane-1,1-diamine has a molecular weight of 218.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylcyclohexane-1,1-diamine is sourced from PubChem (CID 174720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).