N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine

C9H19NO2S — CID 130735918

IUPACN-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCNC1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10-9-5-3-8(4-6-9)7-13(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyBKBOQTRSNWHWNS-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine

N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 130735918) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
PubChem CID130735918
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCNC1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10-9-5-3-8(4-6-9)7-13(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyBKBOQTRSNWHWNS-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
2-methanesulfonyl-N-methylcyclohexan-1-amine
CID 14615345
2-(Cyclohexylmethylazaniumyl)ethanesulfonate
CID 152757612
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
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-Methanesulfonylcyclohexyl)methanamine
CID 84719803
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730474
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 63162770
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine (CID 130735918) is N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine is CNC1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is BKBOQTRSNWHWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10-9-5-3-8(4-6-9)7-13(2,11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine?
N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 130735918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).