N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide

C13H27NO2S — CID 164942037

IUPACN-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)C1(CO)CCCC1
InChIInChI=1S/C13H27NO2S/c1-5-11(14-17(16)12(2,3)4)13(10-15)8-6-7-9-13/h11,14-15H,5-10H2,1-4H3
InChIKeyQNCMNFVXXMEBNL-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds5

About N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide

N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide (PubChem CID 164942037) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide
PubChem CID164942037
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)C1(CO)CCCC1
InChIInChI=1S/C13H27NO2S/c1-5-11(14-17(16)12(2,3)4)13(10-15)8-6-7-9-13/h11,14-15H,5-10H2,1-4H3
InChIKeyQNCMNFVXXMEBNL-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide (CID 164942037) is N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide is CCC(NS(=O)C(C)(C)C)C1(CO)CCCC1.
What is the InChIKey of N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is QNCMNFVXXMEBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-11(14-17(16)12(2,3)4)13(10-15)8-6-7-9-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide?
N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 261.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(hydroxymethyl)cyclopentyl]propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164942037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).