1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine

C12H26N2O3S — CID 170623188

IUPAC1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-11-18(15,16)14-8-5-12(6-9-14)13-7-10-17-2/h12-13H,3-11H2,1-2H3
InChIKeyUILKWGGROULKIV-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds8

About 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine

1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine (PubChem CID 170623188) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine
PubChem CID170623188
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-11-18(15,16)14-8-5-12(6-9-14)13-7-10-17-2/h12-13H,3-11H2,1-2H3
InChIKeyUILKWGGROULKIV-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Piperidine-3-sulfonyl)morpholine
CID 22263137
N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 75373321
(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
CID 97216357
Morpholine, 4-piperidinosulfonyl-
CID 144465
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009641
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 61490880
2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 63245729
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 63289803
1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63827272
1-methylsulfonyl-N-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
CID 65803005
N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 105917716
N-(Piperidin-4-YL)propane-1-sulfonamide
CID 16792693

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine (CID 170623188) is 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine is CCCCS(=O)(=O)N1CCC(NCCOC)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is UILKWGGROULKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-4-11-18(15,16)14-8-5-12(6-9-14)13-7-10-17-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine?
1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 278.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 170623188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).