N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

C16H34N2O2S — CID 106725817

IUPACN-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C16H34N2O2S/c1-14(2)11-17-12-15-7-6-8-18(13-15)9-10-21(19,20)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyCBELBORNJAVQDJ-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.16
Rot. Bonds7

About N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106725817) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID106725817
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C16H34N2O2S/c1-14(2)11-17-12-15-7-6-8-18(13-15)9-10-21(19,20)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyCBELBORNJAVQDJ-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 106725778
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
CID 63849711
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 107010261
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 106725817) is N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN(CCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CBELBORNJAVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-14(2)11-17-12-15-7-6-8-18(13-15)9-10-21(19,20)16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 318.53 g/mol, XLogP of 2.16, 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)piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106725817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).