N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine

C15H30N2O2S — CID 114515525

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCN1CCC(CCNC2CCCC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-17-10-7-13(8-11-17)6-9-16-14-4-3-5-15(12-14)20(2,18)19/h13-16H,3-12H2,1-2H3
InChIKeySBEADAGZXDZLMD-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine (PubChem CID 114515525) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
PubChem CID114515525
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCN1CCC(CCNC2CCCC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-17-10-7-13(8-11-17)6-9-16-14-4-3-5-15(12-14)20(2,18)19/h13-16H,3-12H2,1-2H3
InChIKeySBEADAGZXDZLMD-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 86782206
(2R)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856814
(2S)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856815
N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide
CID 20511226
4-(3-Methylcyclohexyl)sulfonylpiperidine
CID 20735345
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394
4-(3-Butylsulfonylpropyl)piperidine
CID 57078100
3-(2-Methanesulfonylethyl)piperidine
CID 59268344

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine (CID 114515525) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine is CN1CCC(CCNC2CCCC(S(C)(=O)=O)C2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is SBEADAGZXDZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-17-10-7-13(8-11-17)6-9-16-14-4-3-5-15(12-14)20(2,18)19/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 114515525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).