N-propyl-3-propylsulfinylbutan-2-amine

C10H23NOS — CID 64651123

IUPACN-propyl-3-propylsulfinylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)CCC
InChIInChI=1S/C10H23NOS/c1-5-7-11-9(3)10(4)13(12)8-6-2/h9-11H,5-8H2,1-4H3
InChIKeyGMCSPPVTJLIAFF-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds7

About N-propyl-3-propylsulfinylbutan-2-amine

N-propyl-3-propylsulfinylbutan-2-amine (PubChem CID 64651123) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-propyl-3-propylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-propyl-3-propylsulfinylbutan-2-amine
PubChem CID64651123
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-propyl-3-propylsulfinylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)CCC
InChIInChI=1S/C10H23NOS/c1-5-7-11-9(3)10(4)13(12)8-6-2/h9-11H,5-8H2,1-4H3
InChIKeyGMCSPPVTJLIAFF-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylsulfinyl-N-propylbutan-2-amine
CID 64651293
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
2-pentylsulfinyl-N-propylpentan-3-amine
CID 107758770
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
3-(4-propan-2-ylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64659532
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
N-propyl-1-propylsulfinylpentan-2-amine
CID 64650923
3-propylsulfinylbutan-2-one
CID 64638271
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-propylsulfinylbutan-2-amine?
The IUPAC name of N-propyl-3-propylsulfinylbutan-2-amine (CID 64651123) is N-propyl-3-propylsulfinylbutan-2-amine.
What is the SMILES notation for N-propyl-3-propylsulfinylbutan-2-amine?
The canonical SMILES for N-propyl-3-propylsulfinylbutan-2-amine is CCCNC(C)C(C)S(=O)CCC.
What is the InChIKey of N-propyl-3-propylsulfinylbutan-2-amine?
The InChIKey is GMCSPPVTJLIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-7-11-9(3)10(4)13(12)8-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of N-propyl-3-propylsulfinylbutan-2-amine?
N-propyl-3-propylsulfinylbutan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-propylsulfinylbutan-2-amine is sourced from PubChem (CID 64651123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).