N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine

C12H26N2O3S — CID 54956079

IUPACN-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCCCOCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-10-17-11-7-13-12-5-8-14(9-6-12)18(2,15)16/h12-13H,3-11H2,1-2H3
InChIKeyNUFWTAYZTIBNGH-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds8

About N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine

N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 54956079) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID54956079
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCCCOCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-10-17-11-7-13-12-5-8-14(9-6-12)18(2,15)16/h12-13H,3-11H2,1-2H3
InChIKeyNUFWTAYZTIBNGH-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

N-(Oxan-4-YL)-N-(piperidin-4-YL)methanesulfonamide
CID 86820423
N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 72001516
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 61490880
1-methylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 61491345
1-methylsulfonyl-N-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
CID 65803005
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide
CID 155901959
N-[3-(morpholin-4-yl)propyl]methanesulfonamide
CID 3299519
N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 20511189
N-(4-morpholin-4-ylbutyl)methanesulfonamide
CID 20656530
Rac-1-methanesulfonyl-3-methoxy-piperidin-4-ylamine
CID 21070645
N'-(1-morpholin-3-ylpropyl)methanedisulfonamide
CID 21271199
1-Methanesulphonyl-piperidin-4-yl-2-methoxy-ethylamine
CID 43628950

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine (CID 54956079) is N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine is CCCCOCCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is NUFWTAYZTIBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-4-10-17-11-7-13-12-5-8-14(9-6-12)18(2,15)16/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-butoxyethyl)-1-methylsulfonylpiperidin-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 N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 54956079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).