1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine

C10H21NS — CID 105152861

IUPAC1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)CC1CC1
InChIInChI=1S/C10H21NS/c1-3-11-10(6-7-12-2)8-9-4-5-9/h9-11H,3-8H2,1-2H3
InChIKeyKCGOFWPLVWQXNT-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine

1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine (PubChem CID 105152861) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
PubChem CID105152861
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)CC1CC1
InChIInChI=1S/C10H21NS/c1-3-11-10(6-7-12-2)8-9-4-5-9/h9-11H,3-8H2,1-2H3
InChIKeyKCGOFWPLVWQXNT-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128629
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine (CID 105152861) is 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine is CCNC(CCSC)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The InChIKey is KCGOFWPLVWQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-11-10(6-7-12-2)8-9-4-5-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine?
1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105152861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).