N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

C15H32N2O2S — CID 106725778

IUPACN-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-13(2)11-16-12-14-7-6-8-17(14)9-10-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyUTYNMDDCAGTNOJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds7

About N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106725778) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID106725778
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-13(2)11-16-12-14-7-6-8-17(14)9-10-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyUTYNMDDCAGTNOJ-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 106725781
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
1-(2-tert-butylsulfonylethyl)-2-(chloromethyl)azepane
CID 106731384
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65458533
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (CID 106725778) is N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UTYNMDDCAGTNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-13(2)11-16-12-14-7-6-8-17(14)9-10-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106725778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).