4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine

C12H26N2OS — CID 66233245

IUPAC4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
SMILESCC(N)CCSCC1CN(C(C)C)CCO1
InChIInChI=1S/C12H26N2OS/c1-10(2)14-5-6-15-12(8-14)9-16-7-4-11(3)13/h10-12H,4-9,13H2,1-3H3
InChIKeyVPHWBECSWUYUQH-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.57
Rot. Bonds6

About 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine

4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine (PubChem CID 66233245) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
PubChem CID66233245
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
SMILESCC(N)CCSCC1CN(C(C)C)CCO1
InChIInChI=1S/C12H26N2OS/c1-10(2)14-5-6-15-12(8-14)9-16-7-4-11(3)13/h10-12H,4-9,13H2,1-3H3
InChIKeyVPHWBECSWUYUQH-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 64534933
4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
CID 79146733
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
CID 124741283
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64532749
1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
CID 79665940

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine (CID 66233245) is 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine is CC(N)CCSCC1CN(C(C)C)CCO1.
What is the InChIKey of 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The InChIKey is VPHWBECSWUYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(2)14-5-6-15-12(8-14)9-16-7-4-11(3)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine has a molecular weight of 246.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66233245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).