3-butan-2-ylsulfinyl-N-ethylpropan-1-amine

C9H21NOS — CID 64651704

IUPAC3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
SMILESCCNCCCS(=O)C(C)CC
InChIInChI=1S/C9H21NOS/c1-4-9(3)12(11)8-6-7-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyYYCZGNMJVYHYDF-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.53
Rot. Bonds7

About 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine

3-butan-2-ylsulfinyl-N-ethylpropan-1-amine (PubChem CID 64651704) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
PubChem CID64651704
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
SMILESCCNCCCS(=O)C(C)CC
InChIInChI=1S/C9H21NOS/c1-4-9(3)12(11)8-6-7-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyYYCZGNMJVYHYDF-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.53
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

3-butan-2-ylsulfinyl-N-methylpropan-1-amine
CID 64652102
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
CID 64652936
5-butan-2-ylsulfinyl-N-methylpentan-2-amine
CID 64660321
3-propan-2-ylsulfinyl-N-propylpropan-1-amine
CID 64654588
6-butan-2-ylsulfinylhexan-3-amine
CID 106807943
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-9-methylundecan-1-amine
CID 148817249
N-ethyl-11-methyltridecan-1-amine
CID 167239915
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N-(3-butylsulfinylpropyl)-2-methylpropan-1-amine
CID 64654750

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine?
The IUPAC name of 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine (CID 64651704) is 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine is CCNCCCS(=O)C(C)CC.
What is the InChIKey of 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine?
The InChIKey is YYCZGNMJVYHYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-9(3)12(11)8-6-7-10-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine?
3-butan-2-ylsulfinyl-N-ethylpropan-1-amine has a molecular weight of 191.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfinyl-N-ethylpropan-1-amine is sourced from PubChem (CID 64651704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).