N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine

C14H28N2O2S — CID 106624711

IUPACN-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
SMILESCCN(CC1CCCNC1)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-3-16(11-12-6-5-9-15-10-12)13-7-4-8-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyHHDCTHVQANZBLO-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine

N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine (PubChem CID 106624711) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
PubChem CID106624711
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
SMILESCCN(CC1CCCNC1)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-3-16(11-12-6-5-9-15-10-12)13-7-4-8-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyHHDCTHVQANZBLO-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624303
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
CID 129413675
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine (CID 106624711) is N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine is CCN(CC1CCCNC1)C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is HHDCTHVQANZBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-16(11-12-6-5-9-15-10-12)13-7-4-8-14(13)19(2,17)18/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine?
N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 106624711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).