1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane

C13H28N2O3S — CID 65117614

IUPAC1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane
SMILESCCCN(CCC)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-10-15(11-4-2)19(17,18)14-12-13(16)8-6-5-7-9-13/h14,16H,3-12H2,1-2H3
InChIKeyVYJDOVCBKPTZCO-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.64
Rot. Bonds8

About 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane

1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane (PubChem CID 65117614) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane.

Molecular Properties

Compound Name1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane
PubChem CID65117614
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane
SMILESCCCN(CCC)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-10-15(11-4-2)19(17,18)14-12-13(16)8-6-5-7-9-13/h14,16H,3-12H2,1-2H3
InChIKeyVYJDOVCBKPTZCO-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane (CID 65117614) is 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane.
What is the SMILES notation for 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The canonical SMILES for 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane is CCCN(CCC)S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The InChIKey is VYJDOVCBKPTZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-10-15(11-4-2)19(17,18)14-12-13(16)8-6-5-7-9-13/h14,16H,3-12H2,1-2H3.
What are the key properties of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane?
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane has a molecular weight of 292.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycyclohexane is sourced from PubChem (CID 65117614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).