N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine

C13H27NOS — CID 105190341

IUPACN-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCSCC1
InChIInChI=1S/C13H27NOS/c1-3-14-13(5-4-8-15-2)11-12-6-9-16-10-7-12/h12-14H,3-11H2,1-2H3
InChIKeyDZLTXGGXSFKVSD-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds8

About N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine

N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine (PubChem CID 105190341) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
PubChem CID105190341
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCSCC1
InChIInChI=1S/C13H27NOS/c1-3-14-13(5-4-8-15-2)11-12-6-9-16-10-7-12/h12-14H,3-11H2,1-2H3
InChIKeyDZLTXGGXSFKVSD-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
CID 105190189
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
N,4-diethyl-1-(thian-4-yl)octan-2-amine
CID 105103395
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
CID 62602456
N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
CID 114856946
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
N-ethyl-10-methoxydecan-4-amine
CID 104650043
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine (CID 105190341) is N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine is CCNC(CCCOC)CC1CCSCC1.
What is the InChIKey of N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine?
The InChIKey is DZLTXGGXSFKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-14-13(5-4-8-15-2)11-12-6-9-16-10-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine?
N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105190341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).