N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine

C12H24N2O2S — CID 43748011

IUPACN-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-5-12(6-8-14)13-10-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyXPOMDHLVOCGYTP-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds6

About N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43748011) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43748011
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-5-12(6-8-14)13-10-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyXPOMDHLVOCGYTP-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
CID 136905648
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119926349
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-(4-methylsulfanylbutyl)-1-propylsulfonylpiperidin-4-amine
CID 103087749
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine (CID 43748011) is N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is XPOMDHLVOCGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-5-12(6-8-14)13-10-11-3-4-11/h11-13H,2-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43748011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).