N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine

C17H33NO2S — CID 106730277

IUPACN-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CCS(=O)(=O)C(C)(C)C)CC2CC2C1
InChIInChI=1S/C17H33NO2S/c1-15(2,3)18-12-17(10-13-9-14(13)11-17)7-8-21(19,20)16(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyWCJXZRYGLZZKBI-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.39
Rot. Bonds5

About N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine

N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine (PubChem CID 106730277) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
PubChem CID106730277
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CCS(=O)(=O)C(C)(C)C)CC2CC2C1
InChIInChI=1S/C17H33NO2S/c1-15(2,3)18-12-17(10-13-9-14(13)11-17)7-8-21(19,20)16(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyWCJXZRYGLZZKBI-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine
CID 59677820
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiolan-3-amine
CID 43679748
N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679757
N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679763
N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 55106788
N-[[3-(cyclohexylmethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 55106836
N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine
CID 55106980
2-methyl-N-[[3-(2-methylpentyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 55107029
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine
CID 55161003
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 60733296
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)nonan-1-amine
CID 62528249
N-[2-(1,1-dioxothiolan-3-yl)decyl]cyclopropanamine
CID 62528446

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine (CID 106730277) is N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CCS(=O)(=O)C(C)(C)C)CC2CC2C1.
What is the InChIKey of N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WCJXZRYGLZZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-15(2,3)18-12-17(10-13-9-14(13)11-17)7-8-21(19,20)16(4,5)6/h13-14,18H,7-12H2,1-6H3.
What are the key properties of N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 315.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).