N,N-bis(sulfanyl)dodecan-1-amine

C12H27NS2 — CID 151348746

IUPACN,N-bis(sulfanyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(S)S
InChIInChI=1S/C12H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h14-15H,2-12H2,1H3
InChIKeyOMAQUDKBUNSBRG-UHFFFAOYSA-N
MW249.49 g/mol
LogP4.90
Rot. Bonds11

About N,N-bis(sulfanyl)dodecan-1-amine

N,N-bis(sulfanyl)dodecan-1-amine (PubChem CID 151348746) has the molecular formula C12H27NS2 and a molecular weight of 249.49 g/mol. Its IUPAC name is N,N-bis(sulfanyl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-bis(sulfanyl)dodecan-1-amine
PubChem CID151348746
Molecular FormulaC12H27NS2
Molecular Weight249.49 g/mol
Exact Mass249.16
IUPAC NameN,N-bis(sulfanyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(S)S
InChIInChI=1S/C12H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h14-15H,2-12H2,1H3
InChIKeyOMAQUDKBUNSBRG-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N,N-bis(sulfanyl)dodecan-1-amine?
The IUPAC name of N,N-bis(sulfanyl)dodecan-1-amine (CID 151348746) is N,N-bis(sulfanyl)dodecan-1-amine.
What is the SMILES notation for N,N-bis(sulfanyl)dodecan-1-amine?
The canonical SMILES for N,N-bis(sulfanyl)dodecan-1-amine is CCCCCCCCCCCCN(S)S.
What is the InChIKey of N,N-bis(sulfanyl)dodecan-1-amine?
The InChIKey is OMAQUDKBUNSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h14-15H,2-12H2,1H3.
What are the key properties of N,N-bis(sulfanyl)dodecan-1-amine?
N,N-bis(sulfanyl)dodecan-1-amine has a molecular weight of 249.49 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(sulfanyl)dodecan-1-amine is sourced from PubChem (CID 151348746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).