4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide

C12H26N2O2S — CID 114124982

IUPAC4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
SMILESCCC1(CNS(=O)(=O)CCCCN)CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-12(7-3-4-8-12)11-14-17(15,16)10-6-5-9-13/h14H,2-11,13H2,1H3
InChIKeyFAMIFVWDEIMNIX-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide

4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide (PubChem CID 114124982) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
PubChem CID114124982
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
SMILESCCC1(CNS(=O)(=O)CCCCN)CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-12(7-3-4-8-12)11-14-17(15,16)10-6-5-9-13/h14H,2-11,13H2,1H3
InChIKeyFAMIFVWDEIMNIX-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
CID 63829224
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
CID 126795757
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylpropane-1-sulfonamide
CID 115365877

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide (CID 114124982) is 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide is CCC1(CNS(=O)(=O)CCCCN)CCCC1.
What is the InChIKey of 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide?
The InChIKey is FAMIFVWDEIMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-12(7-3-4-8-12)11-14-17(15,16)10-6-5-9-13/h14H,2-11,13H2,1H3.
What are the key properties of 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide?
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 114124982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).