5-tert-butylsulfinyl-N-propylpentan-2-amine

C12H27NOS — CID 64652980

IUPAC5-tert-butylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-9-13-11(2)8-7-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyXTSGLLGLZOQLIF-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.70
Rot. Bonds7

About 5-tert-butylsulfinyl-N-propylpentan-2-amine

5-tert-butylsulfinyl-N-propylpentan-2-amine (PubChem CID 64652980) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 5-tert-butylsulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-tert-butylsulfinyl-N-propylpentan-2-amine
PubChem CID64652980
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name5-tert-butylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-9-13-11(2)8-7-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyXTSGLLGLZOQLIF-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
N-propylnonan-2-amine
CID 43129664
4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64651165
5-(4-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64651446
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
5-(2-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64650795

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfinyl-N-propylpentan-2-amine?
The IUPAC name of 5-tert-butylsulfinyl-N-propylpentan-2-amine (CID 64652980) is 5-tert-butylsulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-tert-butylsulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 5-tert-butylsulfinyl-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfinyl-N-propylpentan-2-amine?
The InChIKey is XTSGLLGLZOQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-9-13-11(2)8-7-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 5-tert-butylsulfinyl-N-propylpentan-2-amine?
5-tert-butylsulfinyl-N-propylpentan-2-amine has a molecular weight of 233.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64652980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).