N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine

C14H28N2O3S — CID 79600882

IUPACN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)19-9-10-20(17,18)16-7-5-13(6-8-16)11-15-14-3-4-14/h12-15H,3-11H2,1-2H3
InChIKeyLSACSHYWWTWWTI-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds8

About N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine

N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 79600882) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
PubChem CID79600882
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)19-9-10-20(17,18)16-7-5-13(6-8-16)11-15-14-3-4-14/h12-15H,3-11H2,1-2H3
InChIKeyLSACSHYWWTWWTI-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106028741
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
2-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813767
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine (CID 79600882) is N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine is CC(C)OCCS(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is LSACSHYWWTWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)19-9-10-20(17,18)16-7-5-13(6-8-16)11-15-14-3-4-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 304.46 g/mol, XLogP of 1.21, 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-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79600882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).