(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide

C11H21NOS — CID 46946711

IUPAC(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](/C=C/C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-6-8-10(9-7-2)12-14(13)11(3,4)5/h6-7,9-10,12H,1,8H2,2-5H3/b9-7+/t10-,14+/m1/s1
InChIKeyRUACWIJPKUBAIS-XQFMFERDSA-N
MW215.36 g/mol
LogP2.56
Rot. Bonds5

About (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 46946711) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID46946711
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](/C=C/C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-6-8-10(9-7-2)12-14(13)11(3,4)5/h6-7,9-10,12H,1,8H2,2-5H3/b9-7+/t10-,14+/m1/s1
InChIKeyRUACWIJPKUBAIS-XQFMFERDSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
Tert-butyl-oxido-(1,1,7-trifluorohept-5-en-3-ylamino)sulfanium
CID 175485443
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
CID 46946712
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878
(R)-N-[(3R)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135019730
(R)-N-[(4R)-hept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135056974

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide (CID 46946711) is (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide is C=CC[C@H](/C=C/C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RUACWIJPKUBAIS-XQFMFERDSA-N. The full InChI is InChI=1S/C11H21NOS/c1-6-8-10(9-7-2)12-14(13)11(3,4)5/h6-7,9-10,12H,1,8H2,2-5H3/b9-7+/t10-,14+/m1/s1.
What are the key properties of (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46946711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).