2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine

C13H28N2S — CID 79538185

IUPAC2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
SMILESCSCC(C)CNC(C)CC1CCCCN1
InChIInChI=1S/C13H28N2S/c1-11(10-16-3)9-15-12(2)8-13-6-4-5-7-14-13/h11-15H,4-10H2,1-3H3
InChIKeyRQXYKSUIQILTEO-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.50
Rot. Bonds7

About 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine (PubChem CID 79538185) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
PubChem CID79538185
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
SMILESCSCC(C)CNC(C)CC1CCCCN1
InChIInChI=1S/C13H28N2S/c1-11(10-16-3)9-15-12(2)8-13-6-4-5-7-14-13/h11-15H,4-10H2,1-3H3
InChIKeyRQXYKSUIQILTEO-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687
N-(2,2-dicyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541769
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
CID 79560235
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
CID 106426416
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine (CID 79538185) is 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine is CSCC(C)CNC(C)CC1CCCCN1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine?
The InChIKey is RQXYKSUIQILTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-11(10-16-3)9-15-12(2)8-13-6-4-5-7-14-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 79538185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).