N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine

C15H32N2O2S — CID 106728112

IUPACN-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCS(=O)(=O)C(C)(C)C)CC1CCCCN1
InChIInChI=1S/C15H32N2O2S/c1-13(2)17(12-14-8-6-7-9-16-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyCMWXBBKZTCKYQG-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.05
Rot. Bonds6

About N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine

N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106728112) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106728112
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCS(=O)(=O)C(C)(C)C)CC1CCCCN1
InChIInChI=1S/C15H32N2O2S/c1-13(2)17(12-14-8-6-7-9-16-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyCMWXBBKZTCKYQG-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
CID 106632187
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106728112) is N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(CCS(=O)(=O)C(C)(C)C)CC1CCCCN1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is CMWXBBKZTCKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-13(2)17(12-14-8-6-7-9-16-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 304.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106728112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).