1-butylsulfinyl-N-ethylbutan-2-amine

C10H23NOS — CID 64651265

IUPAC1-butylsulfinyl-N-ethylbutan-2-amine
SMILESCCCCS(=O)CC(CC)NCC
InChIInChI=1S/C10H23NOS/c1-4-7-8-13(12)9-10(5-2)11-6-3/h10-11H,4-9H2,1-3H3
InChIKeyFRCFTOVWKFKKIG-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds8

About 1-butylsulfinyl-N-ethylbutan-2-amine

1-butylsulfinyl-N-ethylbutan-2-amine (PubChem CID 64651265) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-butylsulfinyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-butylsulfinyl-N-ethylbutan-2-amine
PubChem CID64651265
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-butylsulfinyl-N-ethylbutan-2-amine
SMILESCCCCS(=O)CC(CC)NCC
InChIInChI=1S/C10H23NOS/c1-4-7-8-13(12)9-10(5-2)11-6-3/h10-11H,4-9H2,1-3H3
InChIKeyFRCFTOVWKFKKIG-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-propylsulfinylhexan-3-amine
CID 106807953
1-butylsulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64657180
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
CID 107508809
N-ethylnonan-3-amine
CID 60996683
3-butylsulfinyl-2-methylpropan-1-amine
CID 81200794
1-propylsulfinylbutane
CID 564183
1-cyclopentylsulfinyl-N-ethylbutan-2-amine
CID 64654211
6-tert-butylsulfinyl-N-ethylhexan-3-amine
CID 106807949
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
CID 64653724
3,3-dimethyl-1-pentylsulfinyl-N-propylbutan-2-amine
CID 107758876

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinyl-N-ethylbutan-2-amine?
The IUPAC name of 1-butylsulfinyl-N-ethylbutan-2-amine (CID 64651265) is 1-butylsulfinyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-butylsulfinyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-butylsulfinyl-N-ethylbutan-2-amine is CCCCS(=O)CC(CC)NCC.
What is the InChIKey of 1-butylsulfinyl-N-ethylbutan-2-amine?
The InChIKey is FRCFTOVWKFKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-7-8-13(12)9-10(5-2)11-6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-butylsulfinyl-N-ethylbutan-2-amine?
1-butylsulfinyl-N-ethylbutan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64651265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).