N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide

C10H21NO3S — CID 65112881

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-8-10(12)6-4-5-7-10/h11-12H,4-8H2,1-3H3
InChIKeyNBTJKSIPPUBQCU-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.01
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 65112881) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide
PubChem CID65112881
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-8-10(12)6-4-5-7-10/h11-12H,4-8H2,1-3H3
InChIKeyNBTJKSIPPUBQCU-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide (CID 65112881) is N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is NBTJKSIPPUBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-8-10(12)6-4-5-7-10/h11-12H,4-8H2,1-3H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 65112881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).