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

C14H30N2O3S — CID 65122112

IUPAC1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
SMILESCCCN(CCC)S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H30N2O3S/c1-3-11-16(12-4-2)20(18,19)15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3
InChIKeyIXPCHTJFQYOLQU-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.03
Rot. Bonds8

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

1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane (PubChem CID 65122112) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane.

Molecular Properties

Compound Name1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
PubChem CID65122112
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
SMILESCCCN(CCC)S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H30N2O3S/c1-3-11-16(12-4-2)20(18,19)15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3
InChIKeyIXPCHTJFQYOLQU-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-[(dipropylsulfamoylamino)methyl]cyclobutane
CID 113411794
4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
CID 56797554
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane
CID 65121349
1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
CID 106723861
1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
CID 103970058
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
CID 167898151
1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
1-[(diethylsulfamoylamino)methyl]-1-(hydroxymethyl)cyclopentane
CID 113294525
methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106

Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane?
The IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane (CID 65122112) is 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane.
What is the SMILES notation for 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane?
The canonical SMILES for 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane is CCCN(CCC)S(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane?
The InChIKey is IXPCHTJFQYOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-3-11-16(12-4-2)20(18,19)15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3.
What are the key properties of 1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane?
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane has a molecular weight of 306.47 g/mol, XLogP of 2.03, 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-hydroxycycloheptane is sourced from PubChem (CID 65122112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).