1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol

C12H26N2O3S — CID 75436030

IUPAC1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCCCN(C)S(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-5-10-13(2)18(16,17)14(3)11-12(15)8-6-7-9-12/h15H,4-11H2,1-3H3
InChIKeyYVXNYYLJSNXHNX-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.20
Rot. Bonds7

About 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 75436030) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID75436030
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCCCN(C)S(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-5-10-13(2)18(16,17)14(3)11-12(15)8-6-7-9-12/h15H,4-11H2,1-3H3
InChIKeyYVXNYYLJSNXHNX-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol (CID 75436030) is 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol is CCCCN(C)S(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is YVXNYYLJSNXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-5-10-13(2)18(16,17)14(3)11-12(15)8-6-7-9-12/h15H,4-11H2,1-3H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 75436030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).