1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane

C13H30N2O3S — CID 66178591

IUPAC1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane
SMILESCCCN(CCC)S(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H30N2O3S/c1-6-8-15(9-7-2)19(17,18)14-11-13(5,16)10-12(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyWKMFAUIKXPXBMP-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.74
Rot. Bonds10

About 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane

1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane (PubChem CID 66178591) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane.

Molecular Properties

Compound Name1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane
PubChem CID66178591
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC Name1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane
SMILESCCCN(CCC)S(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H30N2O3S/c1-6-8-15(9-7-2)19(17,18)14-11-13(5,16)10-12(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyWKMFAUIKXPXBMP-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane?
The IUPAC name of 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane (CID 66178591) is 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane.
What is the SMILES notation for 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane?
The canonical SMILES for 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane is CCCN(CCC)S(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane?
The InChIKey is WKMFAUIKXPXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-6-8-15(9-7-2)19(17,18)14-11-13(5,16)10-12(3)4/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane?
1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane has a molecular weight of 294.46 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane is sourced from PubChem (CID 66178591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).