3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane

C12H28N2O3S — CID 65113327

IUPAC3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane
SMILESCCCN(CCC)S(=O)(=O)NCC(O)(CC)CC
InChIInChI=1S/C12H28N2O3S/c1-5-9-14(10-6-2)18(16,17)13-11-12(15,7-3)8-4/h13,15H,5-11H2,1-4H3
InChIKeyKIJYUTBKNUIEDX-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.49
Rot. Bonds10

About 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane

3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane (PubChem CID 65113327) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane.

Molecular Properties

Compound Name3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane
PubChem CID65113327
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane
SMILESCCCN(CCC)S(=O)(=O)NCC(O)(CC)CC
InChIInChI=1S/C12H28N2O3S/c1-5-9-14(10-6-2)18(16,17)13-11-12(15,7-3)8-4/h13,15H,5-11H2,1-4H3
InChIKeyKIJYUTBKNUIEDX-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane?
The IUPAC name of 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane (CID 65113327) is 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane.
What is the SMILES notation for 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane?
The canonical SMILES for 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane is CCCN(CCC)S(=O)(=O)NCC(O)(CC)CC.
What is the InChIKey of 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane?
The InChIKey is KIJYUTBKNUIEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-5-9-14(10-6-2)18(16,17)13-11-12(15,7-3)8-4/h13,15H,5-11H2,1-4H3.
What are the key properties of 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane?
3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane has a molecular weight of 280.43 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylsulfamoylamino)methyl]-3-hydroxypentane is sourced from PubChem (CID 65113327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).