1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine

C10H23NOS — CID 79575196

IUPAC1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CSC
InChIInChI=1S/C10H23NOS/c1-5-6-11-10(8-13-4)7-12-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyBYJWLYOFCOZVIP-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.14
Rot. Bonds8

About 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine

1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 79575196) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID79575196
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CSC
InChIInChI=1S/C10H23NOS/c1-5-6-11-10(8-13-4)7-12-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyBYJWLYOFCOZVIP-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105151820
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
N-ethyl-4-methyl-1-propan-2-yloxypentan-2-amine
CID 79574126
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434
1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
CID 107506976
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103312155

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine (CID 79575196) is 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)CSC.
What is the InChIKey of 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is BYJWLYOFCOZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-6-11-10(8-13-4)7-12-9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine?
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 79575196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).