4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine

C12H25NO3S — CID 64697055

IUPAC4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-2-16-12(9-13)7-8-17(14,15)10-11-5-3-4-6-11/h11-12H,2-10,13H2,1H3
InChIKeyVJADUMUACSURBP-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.35
Rot. Bonds8

About 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine

4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine (PubChem CID 64697055) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine
PubChem CID64697055
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-2-16-12(9-13)7-8-17(14,15)10-11-5-3-4-6-11/h11-12H,2-10,13H2,1H3
InChIKeyVJADUMUACSURBP-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine (CID 64697055) is 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine is CCOC(CN)CCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine?
The InChIKey is VJADUMUACSURBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-16-12(9-13)7-8-17(14,15)10-11-5-3-4-6-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine?
4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfonyl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 64697055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).