N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide

C12H26N2O3S — CID 114134633

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCCO)CC1
InChIInChI=1S/C12H26N2O3S/c1-2-14-7-5-12(6-8-14)11-13-18(16,17)10-4-3-9-15/h12-13,15H,2-11H2,1H3
InChIKeyCSSFTGPJPAIGNW-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.41
Rot. Bonds8

About N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide

N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide (PubChem CID 114134633) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
PubChem CID114134633
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCCO)CC1
InChIInChI=1S/C12H26N2O3S/c1-2-14-7-5-12(6-8-14)11-13-18(16,17)10-4-3-9-15/h12-13,15H,2-11H2,1H3
InChIKeyCSSFTGPJPAIGNW-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
N-[[1-(2-bromoacetyl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 54197067
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 121109559
5-[5-(1-ethylpiperidin-4-yl)pentoxy]pentan-1-ol
CID 142365203
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 110309147
2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
CID 56541451
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide (CID 114134633) is N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide is CCN1CCC(CNS(=O)(=O)CCCCO)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The InChIKey is CSSFTGPJPAIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-2-14-7-5-12(6-8-14)11-13-18(16,17)10-4-3-9-15/h12-13,15H,2-11H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114134633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).