3-ethyl-2-methylundecane-1-sulfonamide

C14H31NO2S — CID 175525119

IUPAC3-ethyl-2-methylundecane-1-sulfonamide
SMILESCCCCCCCCC(CC)C(C)CS(N)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-14(5-2)13(3)12-18(15,16)17/h13-14H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyFOMKGWKIYFXBNT-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.69
Rot. Bonds11

About 3-ethyl-2-methylundecane-1-sulfonamide

3-ethyl-2-methylundecane-1-sulfonamide (PubChem CID 175525119) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 3-ethyl-2-methylundecane-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-2-methylundecane-1-sulfonamide
PubChem CID175525119
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name3-ethyl-2-methylundecane-1-sulfonamide
SMILESCCCCCCCCC(CC)C(C)CS(N)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-14(5-2)13(3)12-18(15,16)17/h13-14H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyFOMKGWKIYFXBNT-UHFFFAOYSA-N
XLogP3.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.69
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

8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
5-ethyl-4-methylundecan-1-amine
CID 123603936
5-butyl-6-ethyldodecane
CID 529932
2-hexyl-3-methylbutane-1,4-disulfonic acid
CID 123852854
7-ethyl-6-propyltridecane
CID 530352
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
2-propylheptane-1-sulfonamide
CID 87086991

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylundecane-1-sulfonamide?
The IUPAC name of 3-ethyl-2-methylundecane-1-sulfonamide (CID 175525119) is 3-ethyl-2-methylundecane-1-sulfonamide.
What is the SMILES notation for 3-ethyl-2-methylundecane-1-sulfonamide?
The canonical SMILES for 3-ethyl-2-methylundecane-1-sulfonamide is CCCCCCCCC(CC)C(C)CS(N)(=O)=O.
What is the InChIKey of 3-ethyl-2-methylundecane-1-sulfonamide?
The InChIKey is FOMKGWKIYFXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-14(5-2)13(3)12-18(15,16)17/h13-14H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-ethyl-2-methylundecane-1-sulfonamide?
3-ethyl-2-methylundecane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylundecane-1-sulfonamide is sourced from PubChem (CID 175525119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).