(2R)-2-methyl-2-propylsulfinyldecan-1-amine

C14H31NOS — CID 150457506

IUPAC(2R)-2-methyl-2-propylsulfinyldecan-1-amine
SMILESCCCCCCCC[C@](C)(CN)S(=O)CCC
InChIInChI=1S/C14H31NOS/c1-4-6-7-8-9-10-11-14(3,13-15)17(16)12-5-2/h4-13,15H2,1-3H3/t14-,17?/m1/s1
InChIKeyHPCAQKUBUOEELH-XPCCGILXSA-N
MW261.47 g/mol
LogP3.61
Rot. Bonds11

About (2R)-2-methyl-2-propylsulfinyldecan-1-amine

(2R)-2-methyl-2-propylsulfinyldecan-1-amine (PubChem CID 150457506) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is (2R)-2-methyl-2-propylsulfinyldecan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-2-propylsulfinyldecan-1-amine
PubChem CID150457506
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-methyl-2-propylsulfinyldecan-1-amine
SMILESCCCCCCCC[C@](C)(CN)S(=O)CCC
InChIInChI=1S/C14H31NOS/c1-4-6-7-8-9-10-11-14(3,13-15)17(16)12-5-2/h4-13,15H2,1-3H3/t14-,17?/m1/s1
InChIKeyHPCAQKUBUOEELH-XPCCGILXSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluorodecan-1-amine
CID 12635530
2-methyl-2-octylsulfinylundecane
CID 139841324
2,2-dimethyloctan-1-amine
CID 62739423
2-(aminomethyl)-2-methylnonanamide
CID 167073051
2-methyloctane-1,2-diamine
CID 43519506
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
2-methyl-2-propyldodecan-1-amine
CID 55195079
2-decyl-2-methyltetradecanoic acid
CID 611890
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methylicosanoic acid
CID 174997379
2-octyldecane-1,2-diamine
CID 88831195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-propylsulfinyldecan-1-amine?
The IUPAC name of (2R)-2-methyl-2-propylsulfinyldecan-1-amine (CID 150457506) is (2R)-2-methyl-2-propylsulfinyldecan-1-amine.
What is the SMILES notation for (2R)-2-methyl-2-propylsulfinyldecan-1-amine?
The canonical SMILES for (2R)-2-methyl-2-propylsulfinyldecan-1-amine is CCCCCCCC[C@](C)(CN)S(=O)CCC.
What is the InChIKey of (2R)-2-methyl-2-propylsulfinyldecan-1-amine?
The InChIKey is HPCAQKUBUOEELH-XPCCGILXSA-N. The full InChI is InChI=1S/C14H31NOS/c1-4-6-7-8-9-10-11-14(3,13-15)17(16)12-5-2/h4-13,15H2,1-3H3/t14-,17?/m1/s1.
What are the key properties of (2R)-2-methyl-2-propylsulfinyldecan-1-amine?
(2R)-2-methyl-2-propylsulfinyldecan-1-amine has a molecular weight of 261.47 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-propylsulfinyldecan-1-amine is sourced from PubChem (CID 150457506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).