(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide

C12H24N2O2S — CID 163637469

IUPAC(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide
SMILESC=C[C@H](C[C@H](C)/C(=C\C)NCC)CS(N)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-5-11(9-17(13,15)16)8-10(4)12(6-2)14-7-3/h5-6,10-11,14H,1,7-9H2,2-4H3,(H2,13,15,16)/b12-6+/t10-,11+/m0/s1
InChIKeyIBKUZFCFFSDNGY-GNAUDSRASA-N
MW260.40 g/mol
LogP1.62
Rot. Bonds8

About (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide

(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide (PubChem CID 163637469) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide.

Molecular Properties

Compound Name(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide
PubChem CID163637469
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide
SMILESC=C[C@H](C[C@H](C)/C(=C\C)NCC)CS(N)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-5-11(9-17(13,15)16)8-10(4)12(6-2)14-7-3/h5-6,10-11,14H,1,7-9H2,2-4H3,(H2,13,15,16)/b12-6+/t10-,11+/m0/s1
InChIKeyIBKUZFCFFSDNGY-GNAUDSRASA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4lambda6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide
CID 143643565
2-(Cyclohex-3-en-1-ylmethylamino)ethanesulfonamide
CID 43551764
3-(Cyclohex-3-en-1-ylmethylamino)propane-1-sulfonamide
CID 61902709
N-(cyclohex-3-en-1-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 61950597
N-(cyclohex-3-en-1-ylmethyl)-2-(methylamino)ethanesulfonamide
CID 61950766
N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 61950767
N-(cyclohex-3-en-1-ylmethyl)-2-(ethylamino)ethanesulfonamide
CID 61950771
N-cyclohex-3-en-1-yl-1-piperidin-3-ylmethanesulfonamide
CID 65677726
2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide
CID 75431559
2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide
CID 97326164
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide
CID 97326165
2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide
CID 102674952

Frequently Asked Questions

What is the IUPAC name of (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide?
The IUPAC name of (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide (CID 163637469) is (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide.
What is the SMILES notation for (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide?
The canonical SMILES for (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide is C=C[C@H](C[C@H](C)/C(=C\C)NCC)CS(N)(=O)=O.
What is the InChIKey of (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide?
The InChIKey is IBKUZFCFFSDNGY-GNAUDSRASA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-5-11(9-17(13,15)16)8-10(4)12(6-2)14-7-3/h5-6,10-11,14H,1,7-9H2,2-4H3,(H2,13,15,16)/b12-6+/t10-,11+/m0/s1.
What are the key properties of (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide?
(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide is sourced from PubChem (CID 163637469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).