N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide

C12H25NO3S — CID 130328348

IUPACN-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide
SMILESCC(C)(C)OCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)16-8-9-17(14,15)13-10-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3
InChIKeyVEMMPWPXZYRJCG-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.91
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide

N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide (PubChem CID 130328348) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide
PubChem CID130328348
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide
SMILESCC(C)(C)OCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)16-8-9-17(14,15)13-10-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3
InChIKeyVEMMPWPXZYRJCG-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-(cyclopentylmethyl)-2-hydroxyethanesulfonamide
CID 79589381
N-(cyclopentylmethyl)-2-methoxyethanesulfonamide
CID 110307531
N-(cyclobutylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide
CID 130328349
3-(Cyclopentylmethylsulfamoyl)propyl methanesulfonate
CID 144836495
2-methoxy-N-(4-methylpentyl)ethanesulfonamide
CID 169897298
N-[1-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
CID 61608660
N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
CID 62955692
N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
CID 63245849
N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
CID 63245991
N-[1-(aminomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
CID 63290112

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide (CID 130328348) is N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide is CC(C)(C)OCCS(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide?
The InChIKey is VEMMPWPXZYRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)16-8-9-17(14,15)13-10-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide?
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide is sourced from PubChem (CID 130328348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).