1-tert-butylsulfinyl-N-propylpentan-2-amine

C12H27NOS — CID 64652349

IUPAC1-tert-butylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-8-11(13-9-7-2)10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyDQKMXEGSBCOXCN-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.70
Rot. Bonds7

About 1-tert-butylsulfinyl-N-propylpentan-2-amine

1-tert-butylsulfinyl-N-propylpentan-2-amine (PubChem CID 64652349) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfinyl-N-propylpentan-2-amine
PubChem CID64652349
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name1-tert-butylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-8-11(13-9-7-2)10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyDQKMXEGSBCOXCN-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

N-propyl-1-propylsulfinylpentan-2-amine
CID 64650923
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
CID 114792258
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479211
3-N-propylhexane-1,3-diamine
CID 88724695
1-tert-butylsulfinyl-3-(propylamino)propan-2-ol
CID 115476964
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
CID 112590468
N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-N-propylpentan-2-amine?
The IUPAC name of 1-tert-butylsulfinyl-N-propylpentan-2-amine (CID 64652349) is 1-tert-butylsulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 1-tert-butylsulfinyl-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfinyl-N-propylpentan-2-amine?
The InChIKey is DQKMXEGSBCOXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-8-11(13-9-7-2)10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 1-tert-butylsulfinyl-N-propylpentan-2-amine?
1-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 1-tert-butylsulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64652349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).