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

C16H33NO2S — CID 106729852

IUPACN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C16H33NO2S/c1-14(2)17-13-16(9-7-6-8-10-16)11-12-20(18,19)15(3,4)5/h14,17H,6-13H2,1-5H3
InChIKeyNHRLWZKPPABHCS-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.54
Rot. Bonds6

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

N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 106729852) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID106729852
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C16H33NO2S/c1-14(2)17-13-16(9-7-6-8-10-16)11-12-20(18,19)15(3,4)5/h14,17H,6-13H2,1-5H3
InChIKeyNHRLWZKPPABHCS-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106729994
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 103036769
1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
CID 106733843
1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
CID 106734177
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
2-tert-butylsulfonyl-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114108013
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 62724580
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine (CID 106729852) is N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is NHRLWZKPPABHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-14(2)17-13-16(9-7-6-8-10-16)11-12-20(18,19)15(3,4)5/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 303.51 g/mol, XLogP of 3.54, 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]propan-2-amine is sourced from PubChem (CID 106729852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).