1-(sulfinoamino)tetradecane

C14H31NO2S — CID 57045520

IUPAC1-(sulfinoamino)tetradecane
SMILESCCCCCCCCCCCCCCNS(=O)O
InChIInChI=1S/C14H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16)17/h15H,2-14H2,1H3,(H,16,17)
InChIKeyHHTDPAUOONCGSK-UHFFFAOYSA-N
MW277.47 g/mol
LogP4.41
Rot. Bonds14

About 1-(sulfinoamino)tetradecane

1-(sulfinoamino)tetradecane (PubChem CID 57045520) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 1-(sulfinoamino)tetradecane.

Molecular Properties

Compound Name1-(sulfinoamino)tetradecane
PubChem CID57045520
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name1-(sulfinoamino)tetradecane
SMILESCCCCCCCCCCCCCCNS(=O)O
InChIInChI=1S/C14H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16)17/h15H,2-14H2,1H3,(H,16,17)
InChIKeyHHTDPAUOONCGSK-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
1-fluoro-5-(sulfinoamino)pentane
CID 91169380
1-(dimethylamino)-5-(sulfinoamino)pentane
CID 91318979
1-(2-sulfinohydrazinyl)pentane
CID 90384129
1-(dimethylamino)-4-(sulfinoamino)butane
CID 90942652
N,N'-diheptyloxamide
CID 3417538
1-hexadecyl-3-sulfonylurea
CID 87997477
N-hexylacetamide
CID 24129
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
1-butyl-3-octylurea
CID 17269600
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of 1-(sulfinoamino)tetradecane?
The IUPAC name of 1-(sulfinoamino)tetradecane (CID 57045520) is 1-(sulfinoamino)tetradecane.
What is the SMILES notation for 1-(sulfinoamino)tetradecane?
The canonical SMILES for 1-(sulfinoamino)tetradecane is CCCCCCCCCCCCCCNS(=O)O.
What is the InChIKey of 1-(sulfinoamino)tetradecane?
The InChIKey is HHTDPAUOONCGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16)17/h15H,2-14H2,1H3,(H,16,17).
What are the key properties of 1-(sulfinoamino)tetradecane?
1-(sulfinoamino)tetradecane has a molecular weight of 277.47 g/mol, XLogP of 4.41, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinoamino)tetradecane is sourced from PubChem (CID 57045520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).