cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine

C15H30N2O2S — CID 99838080

IUPACcis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
SMILESC[C@H]1CC(C)(C)C[C@H]1NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-12-9-15(2,3)10-14(12)16-11-13-5-7-17(8-6-13)20(4,18)19/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyIKMYKZAUNSDDLS-GXTWGEPZSA-N
MW302.48 g/mol
LogP2.07
Rot. Bonds4

About cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine

cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine (PubChem CID 99838080) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
PubChem CID99838080
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Namecis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
SMILESC[C@H]1CC(C)(C)C[C@H]1NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-12-9-15(2,3)10-14(12)16-11-13-5-7-17(8-6-13)20(4,18)19/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyIKMYKZAUNSDDLS-GXTWGEPZSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

N-[1-(3-piperidinyl)ethyl]methanesulfonamide
CID 43523468
N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
CID 58786732
(3R)-3-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 60052471
1-(1-Methylsulfonylpiperidin-4-yl)propan-1-amine
CID 68522573
1-(1-Methylsulfonylpiperidin-4-yl)propan-2-amine
CID 84082325
N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide
CID 115906449
(R)-2-methyl-N-[(4R)-3-methyl-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 118247762
2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide
CID 123623685
N-[[3-(methylamino)-1-bicyclo[2.1.1]hexanyl]methyl]methanesulfonamide
CID 132012426
(R)-2-methyl-N-[(4R)-3-methyl-8-azaspiro[4.5]decan-4-yl]butane-2-sulfinamide
CID 135294468
N-[(5,6-dimethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343498
N-[(2-methyl-3-piperidinyl)methyl]methanesulfonamide
CID 139358834

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine (CID 99838080) is cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine is C[C@H]1CC(C)(C)C[C@H]1NCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is IKMYKZAUNSDDLS-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12-9-15(2,3)10-14(12)16-11-13-5-7-17(8-6-13)20(4,18)19/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 302.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 99838080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).