1-propan-2-ylsulfinyl-N-propylpentan-2-amine

C11H25NOS — CID 64655390

IUPAC1-propan-2-ylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-7-11(12-8-6-2)9-14(13)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyRMTIUYBDRMDISZ-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds8

About 1-propan-2-ylsulfinyl-N-propylpentan-2-amine

1-propan-2-ylsulfinyl-N-propylpentan-2-amine (PubChem CID 64655390) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-propan-2-ylsulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfinyl-N-propylpentan-2-amine
PubChem CID64655390
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-propan-2-ylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-7-11(12-8-6-2)9-14(13)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyRMTIUYBDRMDISZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-propylsulfinylpentan-2-amine
CID 64650923
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
CID 107759512
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
CID 114792258
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
N-ethyl-1-propan-2-ylsulfinylpropan-2-amine
CID 64656204
3-N-propylhexane-1,3-diamine
CID 88724695
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
1-(2-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64653540
1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62041625

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfinyl-N-propylpentan-2-amine?
The IUPAC name of 1-propan-2-ylsulfinyl-N-propylpentan-2-amine (CID 64655390) is 1-propan-2-ylsulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-propan-2-ylsulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 1-propan-2-ylsulfinyl-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)C(C)C.
What is the InChIKey of 1-propan-2-ylsulfinyl-N-propylpentan-2-amine?
The InChIKey is RMTIUYBDRMDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-7-11(12-8-6-2)9-14(13)10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-propan-2-ylsulfinyl-N-propylpentan-2-amine?
1-propan-2-ylsulfinyl-N-propylpentan-2-amine has a molecular weight of 219.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64655390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).