N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

C16H31NO2S — CID 106729855

IUPACN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-15(2,3)20(18,19)12-11-16(9-5-4-6-10-16)13-17-14-7-8-14/h14,17H,4-13H2,1-3H3
InChIKeyJBANJQUTLOAGQR-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.29
Rot. Bonds6

About N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 106729855) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID106729855
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-15(2,3)20(18,19)12-11-16(9-5-4-6-10-16)13-17-14-7-8-14/h14,17H,4-13H2,1-3H3
InChIKeyJBANJQUTLOAGQR-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
CID 106733843
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
CID 106734177
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114108013
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106729994
N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 106730275

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (CID 106729855) is N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is CC(C)(C)S(=O)(=O)CCC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is JBANJQUTLOAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-15(2,3)20(18,19)12-11-16(9-5-4-6-10-16)13-17-14-7-8-14/h14,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 301.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 106729855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).