N-methyl-1-pentylsulfanylpentan-2-amine

C11H25NS — CID 107763052

IUPACN-methyl-1-pentylsulfanylpentan-2-amine
SMILESCCCCCSCC(CCC)NC
InChIInChI=1S/C11H25NS/c1-4-6-7-9-13-10-11(12-3)8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyDELJUHZZKKFSID-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds9

About N-methyl-1-pentylsulfanylpentan-2-amine

N-methyl-1-pentylsulfanylpentan-2-amine (PubChem CID 107763052) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-methyl-1-pentylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-pentylsulfanylpentan-2-amine
PubChem CID107763052
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-methyl-1-pentylsulfanylpentan-2-amine
SMILESCCCCCSCC(CCC)NC
InChIInChI=1S/C11H25NS/c1-4-6-7-9-13-10-11(12-3)8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyDELJUHZZKKFSID-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
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

N-ethyl-1-pentylsulfanylpentan-2-amine
CID 107763051
3-butylsulfanyl-2-(methylamino)propan-1-ol
CID 64821482
N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
CID 65135629
N-methyl-1-(2-methylbutylsulfanyl)pentan-2-amine
CID 107763735
N-methylundecan-4-amine
CID 60996531
N-methyl-6-pentylsulfanylhexan-2-amine
CID 107763169
N,4-dimethyl-1-propylsulfanylheptan-2-amine
CID 65129203
3-[2-(methylamino)butylsulfanyl]propan-1-ol
CID 66127508
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
N-ethyl-1-propylsulfanyloctan-2-amine
CID 65128622
1-propylsulfanyldecan-2-ylhydrazine
CID 105225668

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pentylsulfanylpentan-2-amine?
The IUPAC name of N-methyl-1-pentylsulfanylpentan-2-amine (CID 107763052) is N-methyl-1-pentylsulfanylpentan-2-amine.
What is the SMILES notation for N-methyl-1-pentylsulfanylpentan-2-amine?
The canonical SMILES for N-methyl-1-pentylsulfanylpentan-2-amine is CCCCCSCC(CCC)NC.
What is the InChIKey of N-methyl-1-pentylsulfanylpentan-2-amine?
The InChIKey is DELJUHZZKKFSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-6-7-9-13-10-11(12-3)8-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-pentylsulfanylpentan-2-amine?
N-methyl-1-pentylsulfanylpentan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pentylsulfanylpentan-2-amine is sourced from PubChem (CID 107763052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).