N-ethyl-1-propan-2-ylsulfinylpropan-2-amine

C8H19NOS — CID 64656204

IUPACN-ethyl-1-propan-2-ylsulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)C(C)C
InChIInChI=1S/C8H19NOS/c1-5-9-8(4)6-11(10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyMMMKJWWZUQGBSJ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.14
Rot. Bonds5

About N-ethyl-1-propan-2-ylsulfinylpropan-2-amine

N-ethyl-1-propan-2-ylsulfinylpropan-2-amine (PubChem CID 64656204) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-ethyl-1-propan-2-ylsulfinylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-ylsulfinylpropan-2-amine
PubChem CID64656204
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-ethyl-1-propan-2-ylsulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)C(C)C
InChIInChI=1S/C8H19NOS/c1-5-9-8(4)6-11(10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyMMMKJWWZUQGBSJ-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
CID 64656891
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
CID 64655048
N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
CID 107760649
2-(ethylamino)propyl hydrogen sulfate
CID 123389087
ethane;2-ethylsulfinylpropane
CID 90763779
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
N-ethyl-4-(2-methoxyethylsulfinyl)pentan-2-amine
CID 64704822
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-ylsulfinylpropan-2-amine?
The IUPAC name of N-ethyl-1-propan-2-ylsulfinylpropan-2-amine (CID 64656204) is N-ethyl-1-propan-2-ylsulfinylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-propan-2-ylsulfinylpropan-2-amine?
The canonical SMILES for N-ethyl-1-propan-2-ylsulfinylpropan-2-amine is CCNC(C)CS(=O)C(C)C.
What is the InChIKey of N-ethyl-1-propan-2-ylsulfinylpropan-2-amine?
The InChIKey is MMMKJWWZUQGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-5-9-8(4)6-11(10)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-propan-2-ylsulfinylpropan-2-amine?
N-ethyl-1-propan-2-ylsulfinylpropan-2-amine has a molecular weight of 177.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-ylsulfinylpropan-2-amine is sourced from PubChem (CID 64656204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).