N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine

C14H30N2O3S — CID 79599985

IUPACN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H30N2O3S/c1-12(2)15-11-14-7-5-6-8-16(14)20(17,18)10-9-19-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDXIXIOMKMMFRBH-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.59
Rot. Bonds8

About N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine

N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 79599985) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID79599985
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H30N2O3S/c1-12(2)15-11-14-7-5-6-8-16(14)20(17,18)10-9-19-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDXIXIOMKMMFRBH-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 79601215
1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79594908
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
1-[1-(2-propan-2-yloxyethylsulfonyl)azepan-2-yl]propan-2-one
CID 79593615
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79592858
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine (CID 79599985) is N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is DXIXIOMKMMFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-12(2)15-11-14-7-5-6-8-16(14)20(17,18)10-9-19-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 306.47 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 79599985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).