N-ethyl-3-pentylsulfanylbutan-2-amine

C11H25NS — CID 107762879

IUPACN-ethyl-3-pentylsulfanylbutan-2-amine
SMILESCCCCCSC(C)C(C)NCC
InChIInChI=1S/C11H25NS/c1-5-7-8-9-13-11(4)10(3)12-6-2/h10-12H,5-9H2,1-4H3
InChIKeyFDVQBQRCDFODPM-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds8

About N-ethyl-3-pentylsulfanylbutan-2-amine

N-ethyl-3-pentylsulfanylbutan-2-amine (PubChem CID 107762879) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-ethyl-3-pentylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-pentylsulfanylbutan-2-amine
PubChem CID107762879
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-3-pentylsulfanylbutan-2-amine
SMILESCCCCCSC(C)C(C)NCC
InChIInChI=1S/C11H25NS/c1-5-7-8-9-13-11(4)10(3)12-6-2/h10-12H,5-9H2,1-4H3
InChIKeyFDVQBQRCDFODPM-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Di(isopropylaminoethyl)sulfide
CID 469936
Methyl[1-(methylsulfanyl)butan-2-yl]amine
CID 20715135
N,N'-bis[1-(methylsulfanylmethyl)propyl]ethane-1,2-diamine
CID 16727461
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
3-Ethyl-2-methylthiomorpholine
CID 12517839
2,3-Dimethylthiomorpholine
CID 54594327
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
N-methyltetrahydro-2H-thiopyran-4-amine
CID 21709907
3-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 23615103
1,4,7-Trithia-11-azacyclotetradecane
CID 11954528

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pentylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-3-pentylsulfanylbutan-2-amine (CID 107762879) is N-ethyl-3-pentylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-pentylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-3-pentylsulfanylbutan-2-amine is CCCCCSC(C)C(C)NCC.
What is the InChIKey of N-ethyl-3-pentylsulfanylbutan-2-amine?
The InChIKey is FDVQBQRCDFODPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-7-8-9-13-11(4)10(3)12-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-pentylsulfanylbutan-2-amine?
N-ethyl-3-pentylsulfanylbutan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pentylsulfanylbutan-2-amine is sourced from PubChem (CID 107762879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).