3-ethylsulfinyl-N-propylbutan-2-amine

C9H21NOS — CID 64651293

IUPAC3-ethylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)CC
InChIInChI=1S/C9H21NOS/c1-5-7-10-8(3)9(4)12(11)6-2/h8-10H,5-7H2,1-4H3
InChIKeyQHJWAXZFQANGTM-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.53
Rot. Bonds6

About 3-ethylsulfinyl-N-propylbutan-2-amine

3-ethylsulfinyl-N-propylbutan-2-amine (PubChem CID 64651293) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-propylbutan-2-amine
PubChem CID64651293
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name3-ethylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)CC
InChIInChI=1S/C9H21NOS/c1-5-7-10-8(3)9(4)12(11)6-2/h8-10H,5-7H2,1-4H3
InChIKeyQHJWAXZFQANGTM-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-propyl-3-propylsulfinylbutan-2-amine
CID 64651123
3-(4-propan-2-ylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64659532
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
2-pentylsulfinyl-N-propylpentan-3-amine
CID 107758770
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
CID 107759512
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
ethane;2-ethylsulfinylpropane
CID 90763779
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
1-butan-2-ylsulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64651287

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-propylbutan-2-amine?
The IUPAC name of 3-ethylsulfinyl-N-propylbutan-2-amine (CID 64651293) is 3-ethylsulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 3-ethylsulfinyl-N-propylbutan-2-amine is CCCNC(C)C(C)S(=O)CC.
What is the InChIKey of 3-ethylsulfinyl-N-propylbutan-2-amine?
The InChIKey is QHJWAXZFQANGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-5-7-10-8(3)9(4)12(11)6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-ethylsulfinyl-N-propylbutan-2-amine?
3-ethylsulfinyl-N-propylbutan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64651293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).