1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

C18H31N3OS — CID 75382775

IUPAC1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C18H31N3OS/c1-14(13-23-18(3,4)5)19-10-16-6-7-17(20-11-16)21-8-9-22-15(2)12-21/h6-7,11,14-15,19H,8-10,12-13H2,1-5H3
InChIKeyHOVXGIMWSKJDDR-UHFFFAOYSA-N
MW337.53 g/mol
LogP3.32
Rot. Bonds6

About 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 75382775) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID75382775
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC Name1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C18H31N3OS/c1-14(13-23-18(3,4)5)19-10-16-6-7-17(20-11-16)21-8-9-22-15(2)12-21/h6-7,11,14-15,19H,8-10,12-13H2,1-5H3
InChIKeyHOVXGIMWSKJDDR-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382615
1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 136534923
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111608301
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline
CID 60504922
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 75382775) is 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is CC(CSC(C)(C)C)NCc1ccc(N2CCOC(C)C2)nc1.
What is the InChIKey of 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HOVXGIMWSKJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c1-14(13-23-18(3,4)5)19-10-16-6-7-17(20-11-16)21-8-9-22-15(2)12-21/h6-7,11,14-15,19H,8-10,12-13H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 337.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 75382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).